Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
652743 | 6wql RC | 30749 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H PCA 1 H PGL 1 -15.130 4.951 -7.083
2 HA PCA 1 HA PGL 1 -15.038 6.882 -5.301
3 HB2 PCA 1 HB1 PGL 1 -15.971 6.291 -3.297
4 HB3 PCA 1 HB2 PGL 1 -14.987 4.801 -3.236
5 HG2 PCA 1 HG1 PGL 1 -17.780 5.096 -4.041
6 HG3 PCA 1 HG2 PGL 1 -16.807 3.596 -3.856
7 H ARG 2 H ARG 2 -13.233 6.735 -3.486
8 HA ARG 2 HA ARG 2 -10.927 5.655 -4.855
9 HB2 ARG 2 HB2 ARG 2 -10.841 7.938 -3.917
10 HB3 ARG 2 HB1 ARG 2 -11.090 7.284 -2.307
11 HG2 ARG 2 HG2 ARG 2 -8.960 6.168 -2.374
12 HG3 ARG 2 HG1 ARG 2 -8.712 6.651 -4.050
13 HD2 ARG 2 HD2 ARG 2 -7.439 8.109 -2.608
14 HD3 ARG 2 HD1 ARG 2 -8.760 9.014 -3.337
15 HE ARG 2 HE ARG 2 -9.097 7.903 -0.652
16 HH11 ARG 2 HH11 ARG 2 -8.807 10.764 -2.736
17 HH12 ARG 2 HH12 ARG 2 -9.206 11.867 -1.498
18 HH21 ARG 2 HH21 ARG 2 -9.611 9.449 1.046
19 HH22 ARG 2 HH22 ARG 2 -9.655 11.111 0.712
20 H GLY 3 H GLY 3 -12.649 5.188 -1.800
21 HA2 GLY 3 HA2 GLY 3 -12.893 3.158 -0.760
22 HA3 GLY 3 HA1 GLY 3 -11.546 2.534 -1.704
23 H SER 4 H SER 4 -11.732 2.026 0.883
24 HA SER 4 HA SER 4 -9.923 3.786 2.299
25 HB2 SER 4 HB2 SER 4 -11.250 1.207 3.172
26 HB3 SER 4 HB1 SER 4 -10.491 2.418 4.211
27 HG SER 4 HG SER 4 -12.090 3.858 3.709
28 HA PRO 5 HA PRO 5 -6.515 1.490 0.473
29 HB2 PRO 5 HB2 PRO 5 -5.072 2.460 2.881
30 HB3 PRO 5 HB1 PRO 5 -4.631 2.595 1.176
31 HG2 PRO 5 HG2 PRO 5 -5.561 4.692 2.497
32 HG3 PRO 5 HG1 PRO 5 -6.035 4.392 0.817
33 HD2 PRO 5 HD2 PRO 5 -7.590 3.959 3.330
34 HD3 PRO 5 HD1 PRO 5 -8.138 4.513 1.732
35 H ARG 6 H ARG 6 -7.000 1.291 3.992
36 HA ARG 6 HA ARG 6 -5.520 -1.129 4.150
37 HB2 ARG 6 HB2 ARG 6 -7.356 0.075 6.227
38 HB3 ARG 6 HB1 ARG 6 -6.287 -1.291 6.488
39 HG2 ARG 6 HG2 ARG 6 -4.352 0.124 5.949
40 HG3 ARG 6 HG1 ARG 6 -5.437 1.500 5.765
41 HD2 ARG 6 HD2 ARG 6 -5.017 -0.108 8.282
42 HD3 ARG 6 HD1 ARG 6 -4.360 1.492 7.947
43 HE ARG 6 HE ARG 6 -7.245 1.210 7.857
44 HH11 ARG 6 HH11 ARG 6 -4.433 2.123 9.813
45 HH12 ARG 6 HH12 ARG 6 -5.335 3.135 10.852
46 HH21 ARG 6 HH21 ARG 6 -8.475 2.552 9.352
47 HH22 ARG 6 HH22 ARG 6 -7.655 3.347 10.606
48 H ALA 7 H ALA 7 -8.891 -0.400 3.693
49 HA ALA 7 HA ALA 7 -9.869 -3.016 4.167
50 HB1 ALA 7 HB1 ALA 7 -11.845 -2.309 2.891
51 HB2 ALA 7 HB2 ALA 7 -10.979 -0.874 2.345
52 HB3 ALA 7 HB3 ALA 7 -11.375 -1.067 4.052
53 H GLU 8 H GLU 8 -8.868 -1.300 1.243
54 HA GLU 8 HA GLU 8 -9.183 -3.390 -0.603
55 HB2 GLU 8 HB2 GLU 8 -7.101 -1.195 -0.609
56 HB3 GLU 8 HB1 GLU 8 -7.559 -2.170 -1.992
57 HG2 GLU 8 HG2 GLU 8 -9.818 -1.217 -1.897
58 HG3 GLU 8 HG1 GLU 8 -9.317 -0.210 -0.537
59 H TYR 9 H TYR 9 -6.474 -2.444 1.406
60 HA TYR 9 HA TYR 9 -4.538 -4.305 0.673
61 HB2 TYR 9 HB2 TYR 9 -4.016 -2.402 2.076
62 HB3 TYR 9 HB1 TYR 9 -5.156 -2.943 3.292
63 HD1 TYR 9 HD1 TYR 9 -1.822 -3.556 1.820
64 HD2 TYR 9 HD2 TYR 9 -4.539 -4.510 4.940
65 HE1 TYR 9 HE1 TYR 9 -0.007 -4.663 3.065
66 HE2 TYR 9 HE2 TYR 9 -2.761 -5.608 6.181
67 HH TYR 9 HH TYR 9 0.514 -5.287 5.425
68 H GLU 10 H GLU 10 -7.033 -4.517 3.208
69 HA GLU 10 HA GLU 10 -6.395 -7.135 3.973
70 HB2 GLU 10 HB2 GLU 10 -8.851 -5.457 4.377
71 HB3 GLU 10 HB1 GLU 10 -8.703 -7.085 5.027
72 HG2 GLU 10 HG2 GLU 10 -6.793 -4.833 5.620
73 HG3 GLU 10 HG1 GLU 10 -8.146 -5.296 6.650
74 H VAL 11 H VAL 11 -8.769 -5.896 1.650
75 HA VAL 11 HA VAL 11 -9.982 -8.345 0.998
76 HB VAL 11 HB VAL 11 -9.468 -5.973 -0.855
77 HG11 VAL 11 HG11 VAL 11 -11.256 -6.883 -2.276
78 HG12 VAL 11 HG12 VAL 11 -11.366 -8.299 -1.231
79 HG13 VAL 11 3HG1 VAL 11 -9.898 -8.004 -2.162
80 HG21 VAL 11 HG21 VAL 11 -11.938 -6.767 0.688
81 HG22 VAL 11 HG22 VAL 11 -11.807 -5.397 -0.414
82 HG23 VAL 11 HG23 VAL 11 -10.863 -5.424 1.076
83 H CYS 12 H CYS 12 -7.164 -6.785 -0.377
84 HA CYS 12 HA CYS 12 -6.313 -8.550 -2.296
85 HB2 CYS 12 HB2 CYS 12 -5.173 -6.482 -1.999
86 HB3 CYS 12 HB1 CYS 12 -4.790 -6.852 -0.326
87 H ARG 13 H ARG 13 -5.819 -8.750 1.169
88 HA ARG 13 HA ARG 13 -4.170 -11.121 1.052
89 HB2 ARG 13 HB2 ARG 13 -5.572 -9.858 3.402
90 HB3 ARG 13 HB1 ARG 13 -4.238 -11.002 3.462
91 HG2 ARG 13 HG2 ARG 13 -2.788 -9.345 2.384
92 HG3 ARG 13 HG1 ARG 13 -4.133 -8.226 2.336
93 HD2 ARG 13 HD2 ARG 13 -2.675 -7.746 4.237
94 HD3 ARG 13 HD1 ARG 13 -4.296 -8.214 4.747
95 HE ARG 13 HE ARG 13 -2.146 -10.217 4.697
96 HH11 ARG 13 HH11 ARG 13 -4.480 -8.278 6.593
97 HH12 ARG 13 HH12 ARG 13 -4.234 -9.207 7.994
98 HH21 ARG 13 HH21 ARG 13 -1.849 -11.398 6.531
99 HH22 ARG 13 HH22 ARG 13 -2.712 -11.062 7.981
100 H LEU 14 H LEU 14 -7.466 -10.295 1.968
101 HA LEU 14 HA LEU 14 -8.379 -12.718 2.913
102 HB2 LEU 14 HB2 LEU 14 -9.578 -10.586 3.073
103 HB3 LEU 14 HB1 LEU 14 -9.889 -10.635 1.352
104 HG LEU 14 HG LEU 14 -11.216 -12.715 1.715
105 HD11 LEU 14 HD11 LEU 14 -10.848 -12.019 4.620
106 HD12 LEU 14 HD12 LEU 14 -10.236 -13.456 3.796
107 HD13 LEU 14 HD13 LEU 14 -11.973 -13.215 3.979
108 HD21 LEU 14 HD21 LEU 14 -12.097 -10.256 3.206
109 HD22 LEU 14 HD22 LEU 14 -13.151 -11.557 2.655
110 HD23 LEU 14 HD23 LEU 14 -12.295 -10.558 1.480
111 H ARG 15 H ARG 15 -8.317 -11.504 -0.409
112 HA ARG 15 HA ARG 15 -9.696 -13.547 -1.708
113 HB2 ARG 15 HB2 ARG 15 -7.263 -12.083 -2.763
114 HB3 ARG 15 HB1 ARG 15 -8.404 -12.987 -3.737
115 HG2 ARG 15 HG2 ARG 15 -10.172 -11.366 -2.979
116 HG3 ARG 15 HG1 ARG 15 -8.879 -10.428 -2.244
117 HD2 ARG 15 HD2 ARG 15 -9.166 -11.105 -5.169
118 HD3 ARG 15 HD1 ARG 15 -9.417 -9.530 -4.425
119 HE ARG 15 HE ARG 15 -6.777 -10.587 -4.004
120 HH11 ARG 15 HH11 ARG 15 -8.791 -8.774 -6.269
121 HH12 ARG 15 HH12 ARG 15 -7.485 -8.017 -7.050
122 HH21 ARG 15 HH21 ARG 15 -4.991 -9.613 -5.097
123 HH22 ARG 15 HH22 ARG 15 -5.235 -8.510 -6.379
124 H CYS 16 H CYS 16 -6.319 -13.363 -0.800
125 HA CYS 16 HA CYS 16 -5.645 -15.862 -1.989
126 HB2 CYS 16 HB2 CYS 16 -4.155 -14.099 -0.060
127 HB3 CYS 16 HB1 CYS 16 -3.446 -15.470 -0.906
128 H GLN 17 H GLN 17 -6.559 -14.779 1.211
129 HA GLN 17 HA GLN 17 -5.792 -17.154 2.542
130 HB2 GLN 17 HB2 GLN 17 -7.794 -15.033 3.313
131 HB3 GLN 17 HB1 GLN 17 -7.278 -16.340 4.373
132 HG2 GLN 17 HG2 GLN 17 -4.983 -15.531 4.288
133 HG3 GLN 17 HG1 GLN 17 -5.463 -14.264 3.170
134 HE21 GLN 17 1HE2 GLN 17 -7.431 -15.213 5.902
135 HE22 GLN 17 2HE2 GLN 17 -7.195 -13.765 6.794
136 H VAL 18 H VAL 18 -8.744 -16.160 0.960
137 HA VAL 18 HA VAL 18 -10.128 -18.556 1.800
138 HB VAL 18 HB VAL 18 -11.011 -16.407 -0.149
139 HG11 VAL 18 HG11 VAL 18 -12.622 -18.573 1.204
140 HG12 VAL 18 HG12 VAL 18 -12.215 -18.494 -0.508
141 HG13 VAL 18 3HG1 VAL 18 -13.278 -17.278 0.200
142 HG21 VAL 18 HG21 VAL 18 -11.702 -16.774 2.765
143 HG22 VAL 18 HG22 VAL 18 -12.373 -15.545 1.694
144 HG23 VAL 18 HG23 VAL 18 -10.657 -15.519 2.102
145 H ALA 19 H ALA 19 -8.881 -17.234 -1.294
146 HA ALA 19 HA ALA 19 -9.778 -19.614 -2.663
147 HB1 ALA 19 HB1 ALA 19 -9.175 -18.520 -4.715
148 HB2 ALA 19 HB2 ALA 19 -8.372 -17.227 -3.823
149 HB3 ALA 19 HB3 ALA 19 -10.119 -17.434 -3.698
150 H GLU 20 H GLU 20 -6.569 -18.126 -2.056
151 HA GLU 20 HA GLU 20 -5.453 -20.572 -3.248
152 HB2 GLU 20 HB2 GLU 20 -4.195 -17.828 -3.235
153 HB3 GLU 20 HB1 GLU 20 -3.498 -19.277 -3.941
154 HG2 GLU 20 HG2 GLU 20 -5.443 -19.385 -5.476
155 HG3 GLU 20 HG1 GLU 20 -5.980 -17.839 -4.827
156 H ARG 21 H ARG 21 -5.264 -21.697 -1.340
157 HA ARG 21 HA ARG 21 -3.856 -20.312 0.747
158 HB2 ARG 21 HB2 ARG 21 -4.470 -22.131 2.278
159 HB3 ARG 21 HB1 ARG 21 -5.858 -21.382 1.519
160 HG2 ARG 21 HG2 ARG 21 -5.869 -23.333 -0.085
161 HG3 ARG 21 HG1 ARG 21 -4.676 -24.087 0.979
162 HD2 ARG 21 HD2 ARG 21 -6.857 -24.863 1.614
163 HD3 ARG 21 HD1 ARG 21 -6.262 -23.777 2.875
164 HE ARG 21 HE ARG 21 -7.855 -22.577 0.803
165 HH11 ARG 21 HH11 ARG 21 -7.882 -23.904 4.092
166 HH12 ARG 21 HH12 ARG 21 -9.376 -23.205 4.504
167 HH21 ARG 21 HH21 ARG 21 -9.877 -21.601 1.377
168 HH22 ARG 21 HH22 ARG 21 -10.550 -21.882 2.919
169 H GLY 22 H GLY 22 -2.022 -20.191 -0.388
170 HA2 GLY 22 HA2 GLY 22 -0.268 -22.500 0.076
171 HA3 GLY 22 HA1 GLY 22 -0.126 -21.491 -1.373
172 H VAL 23 H VAL 23 1.660 -21.960 1.029
173 HA VAL 23 HA VAL 23 1.517 -19.717 2.669
174 HB VAL 23 HB VAL 23 2.704 -21.692 3.433
175 HG11 VAL 23 HG11 VAL 23 4.810 -21.074 1.382
176 HG12 VAL 23 HG12 VAL 23 3.732 -22.469 1.395
177 HG13 VAL 23 3HG1 VAL 23 4.952 -22.284 2.654
178 HG21 VAL 23 HG21 VAL 23 4.700 -20.645 4.428
179 HG22 VAL 23 HG22 VAL 23 3.282 -19.598 4.512
180 HG23 VAL 23 HG23 VAL 23 4.532 -19.295 3.305
181 H GLU 24 H GLU 24 3.725 -20.170 -0.112
182 HA GLU 24 HA GLU 24 4.850 -17.592 0.293
183 HB2 GLU 24 HB2 GLU 24 5.055 -19.440 -2.081
184 HB3 GLU 24 HB1 GLU 24 5.950 -17.941 -1.897
185 HG2 GLU 24 HG2 GLU 24 6.143 -20.378 -0.156
186 HG3 GLU 24 HG1 GLU 24 7.352 -19.784 -1.291
187 H GLN 25 H GLN 25 2.275 -18.856 -1.650
188 HA GLN 25 HA GLN 25 1.924 -16.637 -3.339
189 HB2 GLN 25 HB2 GLN 25 -0.111 -18.620 -2.309
190 HB3 GLN 25 HB1 GLN 25 -0.468 -17.405 -3.525
191 HG2 GLN 25 HG2 GLN 25 1.522 -19.656 -3.783
192 HG3 GLN 25 HG1 GLN 25 -0.058 -19.557 -4.557
193 HE21 GLN 25 1HE2 GLN 25 3.217 -18.420 -4.579
194 HE22 GLN 25 2HE2 GLN 25 3.138 -17.615 -6.091
195 H GLN 26 H GLN 26 0.389 -17.433 -0.246
196 HA GLN 26 HA GLN 26 -1.085 -15.030 -0.068
197 HB2 GLN 26 HB2 GLN 26 -0.187 -16.918 2.083
198 HB3 GLN 26 HB1 GLN 26 -1.377 -15.640 2.316
199 HG2 GLN 26 HG2 GLN 26 -2.852 -16.720 0.719
200 HG3 GLN 26 HG1 GLN 26 -1.639 -17.964 0.422
201 HE21 GLN 26 1HE2 GLN 26 -4.335 -18.254 1.355
202 HE22 GLN 26 2HE2 GLN 26 -4.230 -19.024 2.905
203 H ARG 27 H ARG 27 2.169 -15.897 0.925
204 HA ARG 27 HA ARG 27 2.691 -13.604 2.484
205 HB2 ARG 27 HB2 ARG 27 4.653 -15.149 0.761
206 HB3 ARG 27 HB1 ARG 27 5.100 -13.944 1.944
207 HG2 ARG 27 HG2 ARG 27 3.849 -16.639 2.489
208 HG3 ARG 27 HG1 ARG 27 5.518 -16.176 2.784
209 HD2 ARG 27 HD2 ARG 27 4.502 -16.088 4.890
210 HD3 ARG 27 HD1 ARG 27 4.544 -14.407 4.368
211 HE ARG 27 HE ARG 27 2.150 -16.105 4.119
212 HH11 ARG 27 HH11 ARG 27 3.652 -13.059 5.150
213 HH12 ARG 27 HH12 ARG 27 2.172 -12.327 5.560
214 HH21 ARG 27 HH21 ARG 27 0.162 -15.135 4.749
215 HH22 ARG 27 HH22 ARG 27 0.118 -13.514 5.301
216 H LYS 28 H LYS 28 3.199 -14.274 -0.955
217 HA LYS 28 HA LYS 28 4.208 -11.771 -1.671
218 HB2 LYS 28 HB2 LYS 28 2.688 -13.790 -3.318
219 HB3 LYS 28 HB1 LYS 28 3.515 -12.388 -3.984
220 HG2 LYS 28 HG2 LYS 28 5.640 -13.237 -3.117
221 HG3 LYS 28 HG1 LYS 28 4.799 -14.643 -2.468
222 HD2 LYS 28 HD2 LYS 28 4.185 -15.349 -4.674
223 HD3 LYS 28 HD1 LYS 28 4.855 -13.870 -5.371
224 HE2 LYS 28 HE2 LYS 28 7.072 -14.513 -4.513
225 HE3 LYS 28 HE1 LYS 28 6.387 -16.015 -3.906
226 HZ1 LYS 28 HZ1 LYS 28 6.472 -15.199 -6.766
227 HZ2 LYS 28 HZ2 LYS 28 5.882 -16.673 -6.171
228 HZ3 LYS 28 HZ3 LYS 28 7.514 -16.273 -6.011
229 H CYS 29 H CYS 29 0.910 -12.982 -1.566
230 HA CYS 29 HA CYS 29 -0.472 -10.903 -2.698
231 HB2 CYS 29 HB2 CYS 29 -1.249 -12.537 -0.287
232 HB3 CYS 29 HB1 CYS 29 -2.357 -11.519 -1.193
233 H GLU 30 H GLU 30 0.265 -11.155 0.821
234 HA GLU 30 HA GLU 30 -0.689 -8.514 1.131
235 HB2 GLU 30 HB2 GLU 30 0.127 -8.709 3.511
236 HB3 GLU 30 HB1 GLU 30 -1.105 -9.843 3.021
237 HG2 GLU 30 HG2 GLU 30 0.626 -11.557 2.756
238 HG3 GLU 30 HG1 GLU 30 1.815 -10.396 3.355
239 H GLN 31 H GLN 31 2.499 -9.859 0.743
240 HA GLN 31 HA GLN 31 3.869 -7.535 1.542
241 HB2 GLN 31 HB2 GLN 31 4.701 -9.787 -0.267
242 HB3 GLN 31 HB1 GLN 31 5.778 -8.472 0.182
243 HG2 GLN 31 HG2 GLN 31 5.616 -9.073 2.511
244 HG3 GLN 31 HG1 GLN 31 4.421 -10.314 2.135
245 HE21 GLN 31 1HE2 GLN 31 5.674 -11.918 2.987
246 HE22 GLN 31 2HE2 GLN 31 7.103 -12.522 2.248
247 H VAL 32 H VAL 32 2.799 -8.578 -1.689
248 HA VAL 32 HA VAL 32 3.886 -6.334 -3.022
249 HB VAL 32 HB VAL 32 1.670 -8.231 -3.871
250 HG11 VAL 32 HG11 VAL 32 3.136 -6.189 -5.556
251 HG12 VAL 32 HG12 VAL 32 1.428 -6.136 -5.114
252 HG13 VAL 32 3HG1 VAL 32 2.024 -7.414 -6.169
253 HG21 VAL 32 HG21 VAL 32 3.830 -9.287 -3.598
254 HG22 VAL 32 HG22 VAL 32 4.581 -8.069 -4.627
255 HG23 VAL 32 HG23 VAL 32 3.408 -9.197 -5.308
256 H CYS 33 H CYS 33 0.784 -6.876 -1.479
257 HA CYS 33 HA CYS 33 -0.173 -4.360 -2.385
258 HB2 CYS 33 HB2 CYS 33 -1.279 -6.301 -0.356
259 HB3 CYS 33 HB1 CYS 33 -2.043 -4.742 -0.677
260 H GLU 34 H GLU 34 1.503 -5.426 0.503
261 HA GLU 34 HA GLU 34 1.166 -3.055 1.990
262 HB2 GLU 34 HB2 GLU 34 1.917 -5.285 2.901
263 HB3 GLU 34 HB1 GLU 34 3.425 -5.080 2.056
264 HG2 GLU 34 HG2 GLU 34 2.593 -3.064 4.088
265 HG3 GLU 34 HG1 GLU 34 3.253 -4.608 4.609
266 H GLU 35 H GLU 35 3.616 -4.018 -0.401
267 HA GLU 35 HA GLU 35 5.107 -1.640 -0.054
268 HB2 GLU 35 HB2 GLU 35 6.217 -2.242 -2.236
269 HB3 GLU 35 HB1 GLU 35 6.280 -3.484 -0.998
270 HG2 GLU 35 HG2 GLU 35 4.452 -4.646 -2.066
271 HG3 GLU 35 HG1 GLU 35 4.376 -3.402 -3.310
272 H ARG 36 H ARG 36 2.267 -2.322 -1.866
273 HA ARG 36 HA ARG 36 2.284 0.007 -3.535
274 HB2 ARG 36 HB2 ARG 36 0.759 -1.965 -3.868
275 HB3 ARG 36 HB1 ARG 36 -0.102 -1.485 -2.419
276 HG2 ARG 36 HG2 ARG 36 -0.598 0.700 -3.529
277 HG3 ARG 36 HG1 ARG 36 0.084 0.029 -5.011
278 HD2 ARG 36 HD2 ARG 36 -2.284 -0.260 -5.108
279 HD3 ARG 36 HD1 ARG 36 -1.559 -1.841 -4.824
280 HE ARG 36 HE ARG 36 -2.546 -0.262 -2.578
281 HH11 ARG 36 HH11 ARG 36 -2.677 -3.261 -4.471
282 HH12 ARG 36 HH12 ARG 36 -3.956 -3.937 -3.583
283 HH21 ARG 36 HH21 ARG 36 -4.325 -1.216 -1.337
284 HH22 ARG 36 HH22 ARG 36 -4.911 -2.765 -1.784
285 H LEU 37 H LEU 37 1.026 -0.828 -0.371
286 HA LEU 37 HA LEU 37 -0.228 1.565 0.298
287 HB2 LEU 37 HB2 LEU 37 0.802 -0.776 1.802
288 HB3 LEU 37 HB1 LEU 37 0.491 0.669 2.729
289 HG LEU 37 HG LEU 37 -1.364 -1.009 2.751
290 HD11 LEU 37 HD11 LEU 37 -2.027 1.672 1.579
291 HD12 LEU 37 HD12 LEU 37 -1.761 1.289 3.287
292 HD13 LEU 37 HD13 LEU 37 -3.141 0.592 2.429
293 HD21 LEU 37 HD21 LEU 37 -1.252 -1.783 0.442
294 HD22 LEU 37 HD22 LEU 37 -1.706 -0.180 -0.130
295 HD23 LEU 37 HD23 LEU 37 -2.856 -1.138 0.801
296 H ARG 38 H ARG 38 3.104 0.555 0.572
297 HA ARG 38 HA ARG 38 4.134 2.653 2.105
298 HB2 ARG 38 HB2 ARG 38 5.489 1.282 -0.226
299 HB3 ARG 38 HB1 ARG 38 6.299 2.266 0.982
300 HG2 ARG 38 HG2 ARG 38 5.706 0.677 2.705
301 HG3 ARG 38 HG1 ARG 38 4.825 -0.298 1.530
302 HD2 ARG 38 HD2 ARG 38 6.976 -0.542 0.263
303 HD3 ARG 38 HD1 ARG 38 7.784 0.259 1.610
304 HE ARG 38 HE ARG 38 6.270 -1.826 2.632
305 HH11 ARG 38 HH11 ARG 38 9.139 -1.449 0.574
306 HH12 ARG 38 HH12 ARG 38 9.803 -2.962 0.983
307 HH21 ARG 38 HH21 ARG 38 7.191 -3.822 3.199
308 HH22 ARG 38 HH22 ARG 38 8.687 -4.371 2.559
309 H GLU 39 H GLU 39 3.659 2.484 -1.407
310 HA GLU 39 HA GLU 39 4.660 5.098 -1.887
311 HB2 GLU 39 HB2 GLU 39 2.873 3.367 -3.590
312 HB3 GLU 39 HB1 GLU 39 3.665 4.840 -4.135
313 HG2 GLU 39 HG2 GLU 39 5.838 3.797 -3.659
314 HG3 GLU 39 HG1 GLU 39 4.995 2.308 -3.228
315 H ARG 40 H ARG 40 1.580 3.800 -1.111
316 HA ARG 40 HA ARG 40 -0.000 6.049 -1.716
317 HB2 ARG 40 HB2 ARG 40 -1.038 3.906 -1.407
318 HB3 ARG 40 HB1 ARG 40 -0.353 3.746 0.196
319 HG2 ARG 40 HG2 ARG 40 -2.704 4.181 0.379
320 HG3 ARG 40 HG1 ARG 40 -1.810 5.572 0.974
321 HD2 ARG 40 HD2 ARG 40 -3.018 5.391 -1.793
322 HD3 ARG 40 HD1 ARG 40 -3.832 6.094 -0.404
323 HE ARG 40 HE ARG 40 -1.253 7.244 -0.987
324 HH11 ARG 40 HH11 ARG 40 -4.744 7.483 -1.510
325 HH12 ARG 40 HH12 ARG 40 -4.659 9.106 -2.063
326 HH21 ARG 40 HH21 ARG 40 -1.179 9.477 -1.786
327 HH22 ARG 40 HH22 ARG 40 -2.661 10.247 -2.149
328 H GLU 41 H GLU 41 1.542 4.948 1.267
329 HA GLU 41 HA GLU 41 0.621 7.221 2.730
330 HB2 GLU 41 HB2 GLU 41 2.534 5.040 3.496
331 HB3 GLU 41 HB1 GLU 41 1.809 6.208 4.604
332 HG2 GLU 41 HG2 GLU 41 0.310 4.188 2.949
333 HG3 GLU 41 HG1 GLU 41 0.672 4.040 4.665
334 H GLN 42 H GLN 42 3.546 6.414 1.044
335 HA GLN 42 HA GLN 42 4.960 8.673 2.196
336 HB2 GLN 42 HB2 GLN 42 5.703 6.784 -0.035
337 HB3 GLN 42 HB1 GLN 42 6.725 8.096 0.520
338 HG2 GLN 42 HG2 GLN 42 6.902 7.041 2.710
339 HG3 GLN 42 HG1 GLN 42 5.835 5.740 2.171
340 HE21 GLN 42 1HE2 GLN 42 7.401 4.166 2.464
341 HE22 GLN 42 2HE2 GLN 42 8.765 4.018 1.414
342 H GLY 43 H GLY 43 2.573 8.355 0.014
343 HA2 GLY 43 HA2 GLY 43 3.339 10.837 -1.310
344 HA3 GLY 43 HA1 GLY 43 2.886 9.457 -2.296
345 H ARG 44 H ARG 44 1.551 10.964 0.668
346 HA ARG 44 HA ARG 44 -1.086 10.908 -0.571
347 HB2 ARG 44 HB2 ARG 44 -0.246 11.885 2.189
348 HB3 ARG 44 HB1 ARG 44 -1.879 11.836 1.584
349 HG2 ARG 44 HG2 ARG 44 -1.796 9.386 1.531
350 HG3 ARG 44 HG1 ARG 44 -0.138 9.439 2.150
351 HD2 ARG 44 HD2 ARG 44 -0.886 10.597 4.142
352 HD3 ARG 44 HD1 ARG 44 -2.533 10.638 3.534
353 HE ARG 44 HE ARG 44 -1.480 7.964 3.807
354 HH11 ARG 44 HH11 ARG 44 -3.181 10.589 5.469
355 HH12 ARG 44 HH12 ARG 44 -3.785 9.612 6.712
356 HH21 ARG 44 HH21 ARG 44 -2.283 6.632 5.527
357 HH22 ARG 44 HH22 ARG 44 -3.264 7.283 6.755
358 H GLY 45 H GLY 45 -1.787 12.634 -1.629
359 HA2 GLY 45 HA2 GLY 45 -0.264 15.146 -1.318
360 HA3 GLY 45 HA1 GLY 45 -1.163 14.680 -2.767
361 H GLU 46 H GLU 46 -2.758 16.183 -2.901
362 HA GLU 46 HA GLU 46 -4.288 16.639 -0.499
363 HB2 GLU 46 HB2 GLU 46 -4.582 17.790 -3.264
364 HB3 GLU 46 HB1 GLU 46 -5.713 18.116 -1.962
365 HG2 GLU 46 HG2 GLU 46 -3.817 19.038 -0.648
366 HG3 GLU 46 HG1 GLU 46 -2.803 18.848 -2.078
367 H ASP 47 H ASP 47 -4.675 14.408 -0.409
368 HA ASP 47 HA ASP 47 -6.618 13.331 -2.268
369 HB2 ASP 47 HB2 ASP 47 -5.180 12.164 0.116
370 HB3 ASP 47 HB1 ASP 47 -6.492 11.318 -0.688
371 H VAL 48 H VAL 48 -6.339 14.504 0.941
372 HA VAL 48 HA VAL 48 -7.757 15.146 2.524
373 HB VAL 48 HB VAL 48 -10.020 14.718 0.528
374 HG11 VAL 48 HG11 VAL 48 -10.024 16.193 3.166
375 HG12 VAL 48 HG12 VAL 48 -10.809 14.649 2.843
376 HG13 VAL 48 3HG1 VAL 48 -11.372 16.108 2.031
377 HG21 VAL 48 HG21 VAL 48 -8.453 16.442 -0.215
378 HG22 VAL 48 HG22 VAL 48 -8.601 17.259 1.340
379 HG23 VAL 48 HG23 VAL 48 -9.992 17.158 0.261
380 H ASP 49 H ASP 49 -7.225 13.554 3.803
381 HA ASP 49 HA ASP 49 -9.179 11.481 4.188
382 HB2 ASP 49 HB2 ASP 49 -7.534 10.484 2.611
383 HB3 ASP 49 HB1 ASP 49 -6.253 10.836 3.768
Start of MODEL 2
1 H PCA 1 H PGL 1 -10.146 6.518 2.700
2 HA PCA 1 HA PGL 1 -12.389 7.321 3.556
3 HB2 PCA 1 HB1 PGL 1 -12.904 9.398 2.797
4 HB3 PCA 1 HB2 PGL 1 -13.188 8.694 1.181
5 HG2 PCA 1 HG1 PGL 1 -10.956 10.333 2.042
6 HG3 PCA 1 HG2 PGL 1 -11.264 9.614 0.423
7 H ARG 2 H ARG 2 -13.505 5.536 3.389
8 HA ARG 2 HA ARG 2 -14.753 3.855 2.626
9 HB2 ARG 2 HB2 ARG 2 -14.819 5.429 0.051
10 HB3 ARG 2 HB1 ARG 2 -15.787 3.993 0.366
11 HG2 ARG 2 HG2 ARG 2 -16.929 5.164 2.170
12 HG3 ARG 2 HG1 ARG 2 -15.929 6.588 1.875
13 HD2 ARG 2 HD2 ARG 2 -18.125 6.819 0.825
14 HD3 ARG 2 HD1 ARG 2 -16.837 6.778 -0.368
15 HE ARG 2 HE ARG 2 -17.435 4.486 -0.814
16 HH11 ARG 2 HH11 ARG 2 -19.860 6.354 0.974
17 HH12 ARG 2 HH12 ARG 2 -21.180 5.473 0.350
18 HH21 ARG 2 HH21 ARG 2 -19.280 3.303 -1.684
19 HH22 ARG 2 HH22 ARG 2 -20.846 3.737 -1.177
20 H GLY 3 H GLY 3 -13.276 4.412 -0.529
21 HA2 GLY 3 HA2 GLY 3 -12.162 1.735 -0.529
22 HA3 GLY 3 HA1 GLY 3 -12.076 2.911 -1.844
23 H SER 4 H SER 4 -11.038 2.548 1.429
24 HA SER 4 HA SER 4 -8.778 4.272 1.158
25 HB2 SER 4 HB2 SER 4 -9.626 2.465 3.421
26 HB3 SER 4 HB1 SER 4 -8.531 3.845 3.531
27 HG SER 4 HG SER 4 -11.203 3.783 3.622
28 HA PRO 5 HA PRO 5 -5.470 1.537 0.098
29 HB2 PRO 5 HB2 PRO 5 -3.762 1.944 2.290
30 HB3 PRO 5 HB1 PRO 5 -3.776 2.844 0.771
31 HG2 PRO 5 HG2 PRO 5 -5.003 3.534 3.392
32 HG3 PRO 5 HG1 PRO 5 -4.275 4.597 2.177
33 HD2 PRO 5 HD2 PRO 5 -6.918 4.448 2.466
34 HD3 PRO 5 HD1 PRO 5 -6.182 4.605 0.859
35 H ARG 6 H ARG 6 -6.065 1.350 3.654
36 HA ARG 6 HA ARG 6 -5.143 -1.329 3.690
37 HB2 ARG 6 HB2 ARG 6 -4.947 -0.050 5.752
38 HB3 ARG 6 HB1 ARG 6 -6.697 0.158 5.829
39 HG2 ARG 6 HG2 ARG 6 -6.985 -2.245 6.060
40 HG3 ARG 6 HG1 ARG 6 -5.249 -2.468 5.963
41 HD2 ARG 6 HD2 ARG 6 -4.930 -1.414 8.062
42 HD3 ARG 6 HD1 ARG 6 -6.622 -0.881 8.125
43 HE ARG 6 HE ARG 6 -7.105 -3.349 7.937
44 HH11 ARG 6 HH11 ARG 6 -4.371 -2.080 9.854
45 HH12 ARG 6 HH12 ARG 6 -4.294 -3.450 10.864
46 HH21 ARG 6 HH21 ARG 6 -6.947 -5.209 9.287
47 HH22 ARG 6 HH22 ARG 6 -5.797 -5.276 10.539
48 H ALA 7 H ALA 7 -8.214 0.110 3.176
49 HA ALA 7 HA ALA 7 -9.820 -2.154 3.669
50 HB1 ALA 7 HB1 ALA 7 -10.730 0.134 3.464
51 HB2 ALA 7 HB2 ALA 7 -11.539 -0.985 2.374
52 HB3 ALA 7 HB3 ALA 7 -10.324 0.133 1.748
53 H GLU 8 H GLU 8 -8.414 -0.864 0.685
54 HA GLU 8 HA GLU 8 -9.171 -3.027 -0.974
55 HB2 GLU 8 HB2 GLU 8 -6.805 -1.164 -1.284
56 HB3 GLU 8 HB1 GLU 8 -7.507 -2.159 -2.548
57 HG2 GLU 8 HG2 GLU 8 -9.576 -0.866 -2.424
58 HG3 GLU 8 HG1 GLU 8 -8.876 0.126 -1.145
59 H TYR 9 H TYR 9 -6.450 -2.409 1.087
60 HA TYR 9 HA TYR 9 -4.619 -4.392 0.377
61 HB2 TYR 9 HB2 TYR 9 -4.201 -2.517 1.933
62 HB3 TYR 9 HB1 TYR 9 -5.260 -3.289 3.099
63 HD1 TYR 9 HD1 TYR 9 -4.518 -5.495 4.140
64 HD2 TYR 9 HD2 TYR 9 -2.003 -3.073 1.770
65 HE1 TYR 9 HE1 TYR 9 -2.570 -6.625 5.089
66 HE2 TYR 9 HE2 TYR 9 -0.067 -4.127 2.667
67 HH TYR 9 HH TYR 9 0.613 -5.411 4.631
68 H GLU 10 H GLU 10 -7.164 -4.450 2.870
69 HA GLU 10 HA GLU 10 -6.570 -7.106 3.482
70 HB2 GLU 10 HB2 GLU 10 -8.947 -5.430 4.275
71 HB3 GLU 10 HB1 GLU 10 -8.656 -7.067 4.876
72 HG2 GLU 10 HG2 GLU 10 -6.480 -6.350 5.756
73 HG3 GLU 10 HG1 GLU 10 -6.803 -4.716 5.198
74 H VAL 11 H VAL 11 -8.924 -5.700 1.308
75 HA VAL 11 HA VAL 11 -10.217 -8.112 0.627
76 HB VAL 11 HB VAL 11 -9.626 -5.750 -1.211
77 HG11 VAL 11 HG11 VAL 11 -11.701 -7.924 -1.454
78 HG12 VAL 11 HG12 VAL 11 -10.270 -7.749 -2.467
79 HG13 VAL 11 3HG1 VAL 11 -11.548 -6.532 -2.524
80 HG21 VAL 11 HG21 VAL 11 -12.063 -6.334 0.467
81 HG22 VAL 11 HG22 VAL 11 -11.882 -4.989 -0.659
82 HG23 VAL 11 HG23 VAL 11 -10.865 -5.077 0.778
83 H CYS 12 H CYS 12 -7.242 -6.653 -0.468
84 HA CYS 12 HA CYS 12 -6.460 -8.322 -2.541
85 HB2 CYS 12 HB2 CYS 12 -5.274 -6.294 -2.170
86 HB3 CYS 12 HB1 CYS 12 -4.893 -6.733 -0.516
87 H ARG 13 H ARG 13 -5.777 -8.714 0.950
88 HA ARG 13 HA ARG 13 -4.481 -11.255 0.437
89 HB2 ARG 13 HB2 ARG 13 -4.217 -11.468 2.864
90 HB3 ARG 13 HB1 ARG 13 -3.702 -9.877 2.335
91 HG2 ARG 13 HG2 ARG 13 -5.882 -8.981 3.098
92 HG3 ARG 13 HG1 ARG 13 -6.275 -10.578 3.727
93 HD2 ARG 13 HD2 ARG 13 -3.930 -8.875 4.575
94 HD3 ARG 13 HD1 ARG 13 -5.415 -9.083 5.489
95 HE ARG 13 HE ARG 13 -3.641 -11.364 4.878
96 HH11 ARG 13 HH11 ARG 13 -5.513 -9.507 7.252
97 HH12 ARG 13 HH12 ARG 13 -4.983 -10.402 8.580
98 HH21 ARG 13 HH21 ARG 13 -2.967 -12.636 6.709
99 HH22 ARG 13 HH22 ARG 13 -3.536 -12.268 8.264
100 H LEU 14 H LEU 14 -7.688 -10.212 1.446
101 HA LEU 14 HA LEU 14 -8.690 -12.699 2.147
102 HB2 LEU 14 HB2 LEU 14 -9.884 -10.154 1.301
103 HB3 LEU 14 HB1 LEU 14 -10.867 -11.554 0.941
104 HG LEU 14 HG LEU 14 -11.554 -10.566 3.032
105 HD11 LEU 14 HD11 LEU 14 -10.150 -13.185 3.497
106 HD12 LEU 14 HD12 LEU 14 -11.764 -12.960 2.828
107 HD13 LEU 14 HD13 LEU 14 -11.428 -12.493 4.495
108 HD21 LEU 14 HD21 LEU 14 -9.463 -9.503 3.701
109 HD22 LEU 14 HD22 LEU 14 -8.752 -11.086 4.019
110 HD23 LEU 14 HD23 LEU 14 -10.105 -10.512 4.996
111 H ARG 15 H ARG 15 -8.196 -11.327 -1.023
112 HA ARG 15 HA ARG 15 -9.564 -13.111 -2.653
113 HB2 ARG 15 HB2 ARG 15 -6.778 -12.031 -3.129
114 HB3 ARG 15 HB1 ARG 15 -7.792 -12.771 -4.351
115 HG2 ARG 15 HG2 ARG 15 -8.367 -10.212 -2.883
116 HG3 ARG 15 HG1 ARG 15 -7.769 -10.356 -4.535
117 HD2 ARG 15 HD2 ARG 15 -9.825 -11.549 -5.155
118 HD3 ARG 15 HD1 ARG 15 -10.409 -11.362 -3.499
119 HE ARG 15 HE ARG 15 -9.721 -8.869 -4.425
120 HH11 ARG 15 HH11 ARG 15 -12.129 -11.352 -5.184
121 HH12 ARG 15 HH12 ARG 15 -13.299 -10.261 -5.739
122 HH21 ARG 15 HH21 ARG 15 -11.340 -7.345 -5.186
123 HH22 ARG 15 HH22 ARG 15 -12.849 -7.933 -5.723
124 H CYS 16 H CYS 16 -6.367 -13.437 -1.263
125 HA CYS 16 HA CYS 16 -5.904 -16.023 -2.359
126 HB2 CYS 16 HB2 CYS 16 -4.468 -14.349 -0.337
127 HB3 CYS 16 HB1 CYS 16 -3.819 -15.852 -0.960
128 H GLN 17 H GLN 17 -7.246 -14.804 0.582
129 HA GLN 17 HA GLN 17 -6.908 -17.257 2.021
130 HB2 GLN 17 HB2 GLN 17 -8.645 -14.860 2.640
131 HB3 GLN 17 HB1 GLN 17 -8.307 -16.186 3.748
132 HG2 GLN 17 HG2 GLN 17 -5.946 -15.634 3.742
133 HG3 GLN 17 HG1 GLN 17 -6.229 -14.356 2.569
134 HE21 GLN 17 1HE2 GLN 17 -5.053 -14.214 5.158
135 HE22 GLN 17 2HE2 GLN 17 -5.985 -13.098 6.087
136 H VAL 18 H VAL 18 -9.472 -15.730 0.170
137 HA VAL 18 HA VAL 18 -11.394 -17.774 0.682
138 HB VAL 18 HB VAL 18 -11.265 -15.709 -1.558
139 HG11 VAL 18 HG11 VAL 18 -13.651 -16.167 -1.915
140 HG12 VAL 18 HG12 VAL 18 -13.570 -17.467 -0.723
141 HG13 VAL 18 3HG1 VAL 18 -12.666 -17.597 -2.228
142 HG21 VAL 18 HG21 VAL 18 -11.469 -14.711 0.653
143 HG22 VAL 18 HG22 VAL 18 -12.854 -15.744 1.008
144 HG23 VAL 18 HG23 VAL 18 -12.969 -14.518 -0.253
145 H ALA 19 H ALA 19 -8.925 -17.234 -1.740
146 HA ALA 19 HA ALA 19 -9.679 -19.411 -3.436
147 HB1 ALA 19 HB1 ALA 19 -8.401 -17.505 -4.247
148 HB2 ALA 19 HB2 ALA 19 -7.558 -19.055 -4.503
149 HB3 ALA 19 HB3 ALA 19 -7.082 -17.994 -3.168
150 H GLU 20 H GLU 20 -7.879 -19.086 -0.563
151 HA GLU 20 HA GLU 20 -6.940 -20.451 0.851
152 HB2 GLU 20 HB2 GLU 20 -8.033 -22.632 -0.876
153 HB3 GLU 20 HB1 GLU 20 -7.483 -22.825 0.802
154 HG2 GLU 20 HG2 GLU 20 -9.216 -21.236 1.505
155 HG3 GLU 20 HG1 GLU 20 -9.695 -21.098 -0.188
156 H ARG 21 H ARG 21 -4.883 -20.020 0.662
157 HA ARG 21 HA ARG 21 -3.224 -21.561 -1.233
158 HB2 ARG 21 HB2 ARG 21 -2.809 -18.622 -0.587
159 HB3 ARG 21 HB1 ARG 21 -1.930 -19.584 -1.763
160 HG2 ARG 21 HG2 ARG 21 -4.847 -18.843 -1.963
161 HG3 ARG 21 HG1 ARG 21 -3.530 -18.020 -2.795
162 HD2 ARG 21 HD2 ARG 21 -4.105 -20.955 -3.115
163 HD3 ARG 21 HD1 ARG 21 -4.824 -19.725 -4.146
164 HE ARG 21 HE ARG 21 -2.165 -19.217 -4.237
165 HH11 ARG 21 HH11 ARG 21 -4.099 -22.108 -4.874
166 HH12 ARG 21 HH12 ARG 21 -3.136 -22.653 -6.157
167 HH21 ARG 21 HH21 ARG 21 -0.871 -19.916 -6.055
168 HH22 ARG 21 HH22 ARG 21 -1.264 -21.359 -6.866
169 H GLY 22 H GLY 22 -0.907 -21.561 -0.471
170 HA2 GLY 22 HA2 GLY 22 -0.714 -22.177 2.279
171 HA3 GLY 22 HA1 GLY 22 0.626 -21.994 1.154
172 H VAL 23 H VAL 23 0.703 -21.166 3.821
173 HA VAL 23 HA VAL 23 0.031 -18.517 4.288
174 HB VAL 23 HB VAL 23 0.629 -20.010 6.113
175 HG11 VAL 23 HG11 VAL 23 3.445 -19.893 5.070
176 HG12 VAL 23 HG12 VAL 23 2.387 -21.304 5.101
177 HG13 VAL 23 3HG1 VAL 23 2.955 -20.591 6.613
178 HG21 VAL 23 HG21 VAL 23 0.813 -17.634 6.557
179 HG22 VAL 23 HG22 VAL 23 2.473 -17.628 5.966
180 HG23 VAL 23 HG23 VAL 23 2.067 -18.509 7.438
181 H GLU 24 H GLU 24 2.986 -19.798 2.833
182 HA GLU 24 HA GLU 24 4.355 -17.324 2.726
183 HB2 GLU 24 HB2 GLU 24 4.638 -19.800 1.026
184 HB3 GLU 24 HB1 GLU 24 5.724 -18.423 0.947
185 HG2 GLU 24 HG2 GLU 24 5.246 -20.164 3.348
186 HG3 GLU 24 HG1 GLU 24 6.667 -20.192 2.302
187 H GLN 25 H GLN 25 2.011 -18.854 0.718
188 HA GLN 25 HA GLN 25 2.326 -17.085 -1.490
189 HB2 GLN 25 HB2 GLN 25 -0.054 -18.804 -0.761
190 HB3 GLN 25 HB1 GLN 25 0.267 -18.087 -2.337
191 HG2 GLN 25 HG2 GLN 25 2.323 -19.444 -2.496
192 HG3 GLN 25 HG1 GLN 25 1.907 -20.203 -0.965
193 HE21 GLN 25 1HE2 GLN 25 1.184 -19.955 -4.301
194 HE22 GLN 25 2HE2 GLN 25 0.152 -21.344 -4.399
195 H GLN 26 H GLN 26 0.183 -17.291 1.304
196 HA GLN 26 HA GLN 26 -1.445 -15.018 0.840
197 HB2 GLN 26 HB2 GLN 26 -0.428 -15.954 3.558
198 HB3 GLN 26 HB1 GLN 26 -1.835 -14.960 3.215
199 HG2 GLN 26 HG2 GLN 26 -1.551 -17.838 2.454
200 HG3 GLN 26 HG1 GLN 26 -2.406 -17.227 3.867
201 HE21 GLN 26 1HE2 GLN 26 -3.497 -18.783 1.797
202 HE22 GLN 26 2HE2 GLN 26 -4.712 -17.796 1.039
203 H ARG 27 H ARG 27 1.673 -15.367 2.458
204 HA ARG 27 HA ARG 27 2.035 -12.689 3.163
205 HB2 ARG 27 HB2 ARG 27 4.001 -14.921 2.718
206 HB3 ARG 27 HB1 ARG 27 4.508 -13.320 3.236
207 HG2 ARG 27 HG2 ARG 27 3.130 -13.505 5.229
208 HG3 ARG 27 HG1 ARG 27 2.553 -15.080 4.694
209 HD2 ARG 27 HD2 ARG 27 4.734 -16.033 4.930
210 HD3 ARG 27 HD1 ARG 27 5.452 -14.447 5.228
211 HE ARG 27 HE ARG 27 3.850 -14.446 7.207
212 HH11 ARG 27 HH11 ARG 27 5.520 -17.382 6.046
213 HH12 ARG 27 HH12 ARG 27 5.595 -18.087 7.591
214 HH21 ARG 27 HH21 ARG 27 3.990 -15.455 9.313
215 HH22 ARG 27 HH22 ARG 27 4.687 -16.995 9.487
216 H LYS 28 H LYS 28 2.659 -14.325 0.146
217 HA LYS 28 HA LYS 28 4.005 -12.050 -0.982
218 HB2 LYS 28 HB2 LYS 28 2.873 -14.519 -2.306
219 HB3 LYS 28 HB1 LYS 28 3.767 -13.268 -3.160
220 HG2 LYS 28 HG2 LYS 28 4.832 -14.970 -0.914
221 HG3 LYS 28 HG1 LYS 28 5.182 -15.183 -2.630
222 HD2 LYS 28 HD2 LYS 28 6.225 -12.963 -2.694
223 HD3 LYS 28 HD1 LYS 28 5.853 -12.730 -0.990
224 HE2 LYS 28 HE2 LYS 28 7.254 -14.607 -0.395
225 HE3 LYS 28 HE1 LYS 28 7.624 -14.902 -2.092
226 HZ1 LYS 28 HZ1 LYS 28 8.759 -12.815 -2.204
227 HZ2 LYS 28 HZ2 LYS 28 9.345 -13.660 -0.860
228 HZ3 LYS 28 HZ3 LYS 28 8.250 -12.395 -0.655
229 H CYS 29 H CYS 29 0.756 -13.250 -0.890
230 HA CYS 29 HA CYS 29 -0.430 -11.493 -2.720
231 HB2 CYS 29 HB2 CYS 29 -1.512 -12.728 -0.187
232 HB3 CYS 29 HB1 CYS 29 -2.532 -11.920 -1.358
233 H GLU 30 H GLU 30 0.103 -11.241 0.767
234 HA GLU 30 HA GLU 30 -0.848 -8.615 1.061
235 HB2 GLU 30 HB2 GLU 30 1.164 -10.153 2.699
236 HB3 GLU 30 HB1 GLU 30 0.457 -8.615 3.166
237 HG2 GLU 30 HG2 GLU 30 -1.741 -9.629 3.263
238 HG3 GLU 30 HG1 GLU 30 -1.073 -11.171 2.720
239 H GLN 31 H GLN 31 2.398 -9.919 0.488
240 HA GLN 31 HA GLN 31 4.047 -7.770 0.828
241 HB2 GLN 31 HB2 GLN 31 4.808 -10.033 0.201
242 HB3 GLN 31 HB1 GLN 31 4.240 -9.757 -1.438
243 HG2 GLN 31 HG2 GLN 31 5.846 -7.845 -1.590
244 HG3 GLN 31 HG1 GLN 31 6.488 -8.339 -0.026
245 HE21 GLN 31 1HE2 GLN 31 6.252 -9.079 -3.380
246 HE22 GLN 31 2HE2 GLN 31 7.431 -10.337 -3.413
247 H VAL 32 H VAL 32 2.453 -8.579 -2.244
248 HA VAL 32 HA VAL 32 3.419 -6.433 -3.749
249 HB VAL 32 HB VAL 32 0.807 -7.942 -4.067
250 HG11 VAL 32 HG11 VAL 32 0.722 -5.821 -5.291
251 HG12 VAL 32 HG12 VAL 32 0.832 -7.187 -6.401
252 HG13 VAL 32 3HG1 VAL 32 2.258 -6.203 -6.070
253 HG21 VAL 32 HG21 VAL 32 2.037 -9.213 -5.763
254 HG22 VAL 32 HG22 VAL 32 2.762 -9.375 -4.162
255 HG23 VAL 32 HG23 VAL 32 3.498 -8.314 -5.363
256 H CYS 33 H CYS 33 0.399 -6.696 -1.938
257 HA CYS 33 HA CYS 33 -0.384 -4.068 -2.632
258 HB2 CYS 33 HB2 CYS 33 -1.480 -6.027 -0.607
259 HB3 CYS 33 HB1 CYS 33 -2.250 -4.488 -1.000
260 H GLU 34 H GLU 34 1.359 -5.470 0.035
261 HA GLU 34 HA GLU 34 1.326 -3.273 1.828
262 HB2 GLU 34 HB2 GLU 34 2.011 -5.608 2.404
263 HB3 GLU 34 HB1 GLU 34 3.442 -5.398 1.415
264 HG2 GLU 34 HG2 GLU 34 4.005 -5.158 3.746
265 HG3 GLU 34 HG1 GLU 34 4.189 -3.613 2.913
266 H GLU 35 H GLU 35 3.413 -4.085 -0.884
267 HA GLU 35 HA GLU 35 5.184 -1.950 -0.461
268 HB2 GLU 35 HB2 GLU 35 4.532 -3.414 -3.013
269 HB3 GLU 35 HB1 GLU 35 5.841 -2.251 -2.844
270 HG2 GLU 35 HG2 GLU 35 5.555 -4.860 -1.380
271 HG3 GLU 35 HG1 GLU 35 6.712 -4.477 -2.655
272 H ARG 36 H ARG 36 2.022 -2.023 -1.849
273 HA ARG 36 HA ARG 36 2.306 0.572 -3.086
274 HB2 ARG 36 HB2 ARG 36 0.625 -1.089 -3.924
275 HB3 ARG 36 HB1 ARG 36 -0.270 -0.879 -2.421
276 HG2 ARG 36 HG2 ARG 36 -0.529 1.508 -2.924
277 HG3 ARG 36 HG1 ARG 36 0.310 1.266 -4.450
278 HD2 ARG 36 HD2 ARG 36 -2.028 1.311 -4.870
279 HD3 ARG 36 HD1 ARG 36 -1.467 -0.343 -5.090
280 HE ARG 36 HE ARG 36 -2.374 -0.793 -2.849
281 HH11 ARG 36 HH11 ARG 36 -3.668 1.982 -4.694
282 HH12 ARG 36 HH12 ARG 36 -5.197 1.891 -3.947
283 HH21 ARG 36 HH21 ARG 36 -4.528 -0.820 -1.846
284 HH22 ARG 36 HH22 ARG 36 -5.678 0.363 -2.362
285 H LEU 37 H LEU 37 1.172 -0.732 -0.066
286 HA LEU 37 HA LEU 37 0.201 1.769 0.889
287 HB2 LEU 37 HB2 LEU 37 0.770 -0.842 2.181
288 HB3 LEU 37 HB1 LEU 37 0.549 0.582 3.175
289 HG LEU 37 HG LEU 37 -1.660 0.904 2.099
290 HD11 LEU 37 HD11 LEU 37 -2.728 -1.043 1.041
291 HD12 LEU 37 HD12 LEU 37 -1.087 -1.703 0.807
292 HD13 LEU 37 HD13 LEU 37 -1.537 -0.174 0.087
293 HD21 LEU 37 HD21 LEU 37 -1.195 -1.629 3.575
294 HD22 LEU 37 HD22 LEU 37 -2.748 -0.757 3.431
295 HD23 LEU 37 HD23 LEU 37 -1.347 0.003 4.223
296 H ARG 38 H ARG 38 3.204 0.113 0.959
297 HA ARG 38 HA ARG 38 4.728 1.691 2.632
298 HB2 ARG 38 HB2 ARG 38 5.546 -0.337 1.566
299 HB3 ARG 38 HB1 ARG 38 5.387 0.398 -0.017
300 HG2 ARG 38 HG2 ARG 38 7.153 1.976 0.551
301 HG3 ARG 38 HG1 ARG 38 7.319 1.211 2.134
302 HD2 ARG 38 HD2 ARG 38 7.948 -0.877 1.107
303 HD3 ARG 38 HD1 ARG 38 7.660 -0.220 -0.502
304 HE ARG 38 HE ARG 38 9.491 1.365 0.899
305 HH11 ARG 38 HH11 ARG 38 9.319 -1.772 -0.809
306 HH12 ARG 38 HH12 ARG 38 10.982 -1.771 -1.188
307 HH21 ARG 38 HH21 ARG 38 11.775 1.291 0.352
308 HH22 ARG 38 HH22 ARG 38 12.375 -0.037 -0.516
309 H GLU 39 H GLU 39 3.659 2.223 -0.677
310 HA GLU 39 HA GLU 39 5.074 4.615 -1.175
311 HB2 GLU 39 HB2 GLU 39 2.467 3.672 -2.389
312 HB3 GLU 39 HB1 GLU 39 3.533 4.900 -3.049
313 HG2 GLU 39 HG2 GLU 39 5.253 3.218 -3.418
314 HG3 GLU 39 HG1 GLU 39 4.205 1.983 -2.724
315 H ARG 40 H ARG 40 2.019 3.873 0.473
316 HA ARG 40 HA ARG 40 1.235 6.646 0.305
317 HB2 ARG 40 HB2 ARG 40 -0.170 4.232 1.365
318 HB3 ARG 40 HB1 ARG 40 -0.815 5.862 1.496
319 HG2 ARG 40 HG2 ARG 40 -0.731 6.068 -0.951
320 HG3 ARG 40 HG1 ARG 40 -0.167 4.397 -1.047
321 HD2 ARG 40 HD2 ARG 40 -2.152 3.611 -0.030
322 HD3 ARG 40 HD1 ARG 40 -2.731 5.254 0.259
323 HE ARG 40 HE ARG 40 -2.252 4.304 -2.468
324 HH11 ARG 40 HH11 ARG 40 -4.463 5.630 -0.042
325 HH12 ARG 40 HH12 ARG 40 -5.803 5.681 -1.103
326 HH21 ARG 40 HH21 ARG 40 -4.080 4.445 -3.927
327 HH22 ARG 40 HH22 ARG 40 -5.580 5.002 -3.331
328 H GLU 41 H GLU 41 2.328 4.402 2.768
329 HA GLU 41 HA GLU 41 1.838 6.270 4.865
330 HB2 GLU 41 HB2 GLU 41 3.197 4.759 6.279
331 HB3 GLU 41 HB1 GLU 41 1.899 3.938 5.431
332 HG2 GLU 41 HG2 GLU 41 3.487 3.104 3.796
333 HG3 GLU 41 HG1 GLU 41 4.794 3.938 4.638
334 H GLN 42 H GLN 42 4.486 5.699 2.699
335 HA GLN 42 HA GLN 42 6.221 7.523 4.141
336 HB2 GLN 42 HB2 GLN 42 7.130 5.583 2.864
337 HB3 GLN 42 HB1 GLN 42 6.500 6.283 1.387
338 HG2 GLN 42 HG2 GLN 42 8.860 6.724 1.525
339 HG3 GLN 42 HG1 GLN 42 7.974 8.234 1.705
340 HE21 GLN 42 1HE2 GLN 42 8.403 5.805 4.209
341 HE22 GLN 42 2HE2 GLN 42 9.385 6.798 5.225
342 H GLY 43 H GLY 43 3.781 7.568 1.761
343 HA2 GLY 43 HA2 GLY 43 4.571 10.184 0.727
344 HA3 GLY 43 HA1 GLY 43 3.383 9.098 0.015
345 H ARG 44 H ARG 44 4.020 11.252 2.629
346 HA ARG 44 HA ARG 44 1.342 11.276 3.676
347 HB2 ARG 44 HB2 ARG 44 3.634 13.215 4.031
348 HB3 ARG 44 HB1 ARG 44 2.139 13.253 4.951
349 HG2 ARG 44 HG2 ARG 44 2.639 11.163 5.987
350 HG3 ARG 44 HG1 ARG 44 4.030 10.916 4.930
351 HD2 ARG 44 HD2 ARG 44 4.720 11.677 7.153
352 HD3 ARG 44 HD1 ARG 44 5.130 12.841 5.895
353 HE ARG 44 HE ARG 44 2.629 13.456 7.063
354 HH11 ARG 44 HH11 ARG 44 6.100 13.622 7.747
355 HH12 ARG 44 HH12 ARG 44 5.974 14.964 8.777
356 HH21 ARG 44 HH21 ARG 44 2.466 15.347 8.457
357 HH22 ARG 44 HH22 ARG 44 3.872 15.972 9.175
358 H GLY 45 H GLY 45 3.273 13.196 1.522
359 HA2 GLY 45 HA2 GLY 45 0.854 14.364 0.399
360 HA3 GLY 45 HA1 GLY 45 2.189 15.426 0.860
361 H GLU 46 H GLU 46 1.300 15.204 -1.779
362 HA GLU 46 HA GLU 46 3.081 13.402 -3.143
363 HB2 GLU 46 HB2 GLU 46 1.296 15.587 -4.212
364 HB3 GLU 46 HB1 GLU 46 2.168 14.420 -5.198
365 HG2 GLU 46 HG2 GLU 46 0.929 12.609 -4.205
366 HG3 GLU 46 HG1 GLU 46 0.086 13.736 -3.150
367 H ASP 47 H ASP 47 3.024 16.589 -2.116
368 HA ASP 47 HA ASP 47 4.407 18.371 -2.170
369 HB2 ASP 47 HB2 ASP 47 5.814 16.728 -0.900
370 HB3 ASP 47 HB1 ASP 47 6.614 16.319 -2.410
371 H VAL 48 H VAL 48 3.560 19.061 -4.111
372 HA VAL 48 HA VAL 48 5.357 18.793 -6.433
373 HB VAL 48 HB VAL 48 2.466 19.772 -6.406
374 HG11 VAL 48 HG11 VAL 48 3.713 20.532 -8.347
375 HG12 VAL 48 HG12 VAL 48 2.495 19.347 -8.819
376 HG13 VAL 48 3HG1 VAL 48 4.191 18.873 -8.712
377 HG21 VAL 48 HG21 VAL 48 1.811 17.572 -7.293
378 HG22 VAL 48 HG22 VAL 48 2.495 17.453 -5.671
379 HG23 VAL 48 HG23 VAL 48 3.466 17.002 -7.072
380 H ASP 49 H ASP 49 4.756 20.606 -3.877
381 HA ASP 49 HA ASP 49 4.793 23.233 -5.078
382 HB2 ASP 49 HB2 ASP 49 3.399 22.856 -3.102
383 HB3 ASP 49 HB1 ASP 49 4.833 22.401 -2.184
Start of MODEL 3
1 H PCA 1 H PGL 1 -15.643 3.121 1.419
2 HA PCA 1 HA PGL 1 -13.755 1.756 2.382
3 HB2 PCA 1 HB1 PGL 1 -14.368 -0.415 2.663
4 HB3 PCA 1 HB2 PGL 1 -14.216 -0.645 0.898
5 HG2 PCA 1 HG1 PGL 1 -16.653 -0.403 2.508
6 HG3 PCA 1 HG2 PGL 1 -16.478 -0.807 0.765
7 H ARG 2 H ARG 2 -15.081 1.996 -0.754
8 HA ARG 2 HA ARG 2 -12.796 1.202 -2.190
9 HB2 ARG 2 HB2 ARG 2 -13.830 2.286 -4.154
10 HB3 ARG 2 HB1 ARG 2 -14.923 1.192 -3.328
11 HG2 ARG 2 HG2 ARG 2 -16.038 3.109 -2.280
12 HG3 ARG 2 HG1 ARG 2 -14.927 4.199 -3.110
13 HD2 ARG 2 HD2 ARG 2 -17.056 4.055 -4.277
14 HD3 ARG 2 HD1 ARG 2 -15.749 3.400 -5.264
15 HE ARG 2 HE ARG 2 -17.159 1.486 -3.661
16 HH11 ARG 2 HH11 ARG 2 -17.040 3.117 -6.773
17 HH12 ARG 2 HH12 ARG 2 -17.869 1.893 -7.622
18 HH21 ARG 2 HH21 ARG 2 -18.336 -0.188 -4.781
19 HH22 ARG 2 HH22 ARG 2 -18.671 -0.024 -6.446
20 H GLY 3 H GLY 3 -11.000 2.175 -2.563
21 HA2 GLY 3 HA2 GLY 3 -9.708 4.081 -3.186
22 HA3 GLY 3 HA1 GLY 3 -10.864 5.096 -2.332
23 H SER 4 H SER 4 -10.732 2.962 -0.095
24 HA SER 4 HA SER 4 -8.525 4.275 1.215
25 HB2 SER 4 HB2 SER 4 -10.603 2.379 2.330
26 HB3 SER 4 HB1 SER 4 -9.412 3.278 3.260
27 HG SER 4 HG SER 4 -10.300 5.217 2.350
28 HA PRO 5 HA PRO 5 -5.848 0.996 -0.081
29 HB2 PRO 5 HB2 PRO 5 -3.789 1.596 1.675
30 HB3 PRO 5 HB1 PRO 5 -4.022 2.323 0.081
31 HG2 PRO 5 HG2 PRO 5 -4.755 3.355 2.776
32 HG3 PRO 5 HG1 PRO 5 -4.151 4.239 1.365
33 HD2 PRO 5 HD2 PRO 5 -6.726 4.298 2.079
34 HD3 PRO 5 HD1 PRO 5 -6.244 4.323 0.370
35 H ARG 6 H ARG 6 -6.421 1.450 3.408
36 HA ARG 6 HA ARG 6 -5.279 -1.114 4.025
37 HB2 ARG 6 HB2 ARG 6 -6.058 -0.814 6.328
38 HB3 ARG 6 HB1 ARG 6 -5.243 0.627 5.751
39 HG2 ARG 6 HG2 ARG 6 -7.375 1.721 5.407
40 HG3 ARG 6 HG1 ARG 6 -8.227 0.262 5.915
41 HD2 ARG 6 HD2 ARG 6 -6.338 1.880 7.636
42 HD3 ARG 6 HD1 ARG 6 -8.094 1.945 7.715
43 HE ARG 6 HE ARG 6 -7.236 -0.712 8.063
44 HH11 ARG 6 HH11 ARG 6 -7.162 2.374 9.796
45 HH12 ARG 6 HH12 ARG 6 -7.233 1.664 11.344
46 HH21 ARG 6 HH21 ARG 6 -7.334 -1.684 10.224
47 HH22 ARG 6 HH22 ARG 6 -7.310 -0.645 11.582
48 H ALA 7 H ALA 7 -8.416 -0.007 3.165
49 HA ALA 7 HA ALA 7 -9.844 -2.278 4.092
50 HB1 ALA 7 HB1 ALA 7 -10.982 -0.151 3.615
51 HB2 ALA 7 HB2 ALA 7 -11.652 -1.456 2.632
52 HB3 ALA 7 HB3 ALA 7 -10.536 -0.294 1.915
53 H GLU 8 H GLU 8 -8.615 -1.219 0.988
54 HA GLU 8 HA GLU 8 -9.211 -3.481 -0.546
55 HB2 GLU 8 HB2 GLU 8 -6.870 -1.606 -0.829
56 HB3 GLU 8 HB1 GLU 8 -7.515 -2.654 -2.077
57 HG2 GLU 8 HG2 GLU 8 -9.622 -1.377 -2.010
58 HG3 GLU 8 HG1 GLU 8 -8.895 -0.297 -0.818
59 H TYR 9 H TYR 9 -6.428 -2.600 1.363
60 HA TYR 9 HA TYR 9 -4.542 -4.501 0.805
61 HB2 TYR 9 HB2 TYR 9 -4.324 -2.517 2.250
62 HB3 TYR 9 HB1 TYR 9 -5.254 -3.342 3.482
63 HD1 TYR 9 HD1 TYR 9 -2.091 -3.082 1.794
64 HD2 TYR 9 HD2 TYR 9 -4.246 -5.101 4.796
65 HE1 TYR 9 HE1 TYR 9 -0.006 -3.838 2.702
66 HE2 TYR 9 HE2 TYR 9 -2.220 -5.929 5.766
67 HH TYR 9 HH TYR 9 0.867 -4.629 4.848
68 H GLU 10 H GLU 10 -6.933 -4.665 3.449
69 HA GLU 10 HA GLU 10 -6.256 -7.291 4.173
70 HB2 GLU 10 HB2 GLU 10 -8.733 -5.679 4.737
71 HB3 GLU 10 HB1 GLU 10 -8.374 -7.264 5.445
72 HG2 GLU 10 HG2 GLU 10 -6.665 -4.823 5.758
73 HG3 GLU 10 HG1 GLU 10 -7.873 -5.361 6.925
74 H VAL 11 H VAL 11 -8.562 -6.012 1.882
75 HA VAL 11 HA VAL 11 -9.889 -8.468 1.397
76 HB VAL 11 HB VAL 11 -9.638 -6.016 -0.396
77 HG11 VAL 11 HG11 VAL 11 -10.182 -8.005 -1.718
78 HG12 VAL 11 HG12 VAL 11 -11.562 -6.911 -1.618
79 HG13 VAL 11 3HG1 VAL 11 -11.516 -8.369 -0.625
80 HG21 VAL 11 HG21 VAL 11 -10.787 -5.569 1.701
81 HG22 VAL 11 HG22 VAL 11 -11.863 -6.938 1.418
82 HG23 VAL 11 HG23 VAL 11 -11.924 -5.536 0.351
83 H CYS 12 H CYS 12 -7.152 -6.848 -0.152
84 HA CYS 12 HA CYS 12 -6.458 -8.610 -2.167
85 HB2 CYS 12 HB2 CYS 12 -5.214 -6.584 -1.979
86 HB3 CYS 12 HB1 CYS 12 -4.793 -6.904 -0.304
87 H ARG 13 H ARG 13 -5.590 -8.698 1.228
88 HA ARG 13 HA ARG 13 -4.052 -11.063 1.127
89 HB2 ARG 13 HB2 ARG 13 -5.535 -9.884 3.485
90 HB3 ARG 13 HB1 ARG 13 -4.184 -11.009 3.573
91 HG2 ARG 13 HG2 ARG 13 -2.704 -9.344 2.623
92 HG3 ARG 13 HG1 ARG 13 -4.056 -8.241 2.404
93 HD2 ARG 13 HD2 ARG 13 -3.010 -7.483 4.337
94 HD3 ARG 13 HD1 ARG 13 -4.382 -8.409 4.924
95 HE ARG 13 HE ARG 13 -2.091 -10.039 4.780
96 HH11 ARG 13 HH11 ARG 13 -3.641 -7.553 6.795
97 HH12 ARG 13 HH12 ARG 13 -2.641 -7.857 8.138
98 HH21 ARG 13 HH21 ARG 13 -0.658 -10.353 6.599
99 HH22 ARG 13 HH22 ARG 13 -0.940 -9.472 8.038
100 H LEU 14 H LEU 14 -7.390 -10.387 2.036
101 HA LEU 14 HA LEU 14 -8.277 -12.893 2.814
102 HB2 LEU 14 HB2 LEU 14 -9.531 -10.883 3.194
103 HB3 LEU 14 HB1 LEU 14 -9.700 -10.620 1.478
104 HG LEU 14 HG LEU 14 -11.139 -12.603 1.322
105 HD11 LEU 14 HD11 LEU 14 -10.281 -13.856 3.242
106 HD12 LEU 14 HD12 LEU 14 -12.028 -13.642 3.316
107 HD13 LEU 14 HD13 LEU 14 -10.980 -12.652 4.330
108 HD21 LEU 14 HD21 LEU 14 -12.080 -10.390 1.577
109 HD22 LEU 14 HD22 LEU 14 -12.001 -10.543 3.332
110 HD23 LEU 14 HD23 LEU 14 -13.066 -11.598 2.397
111 H ARG 15 H ARG 15 -8.287 -11.445 -0.402
112 HA ARG 15 HA ARG 15 -9.585 -13.509 -1.772
113 HB2 ARG 15 HB2 ARG 15 -7.449 -11.621 -2.788
114 HB3 ARG 15 HB1 ARG 15 -8.415 -12.663 -3.819
115 HG2 ARG 15 HG2 ARG 15 -10.435 -11.487 -3.168
116 HG3 ARG 15 HG1 ARG 15 -9.514 -10.499 -2.034
117 HD2 ARG 15 HD2 ARG 15 -8.214 -9.593 -3.902
118 HD3 ARG 15 HD1 ARG 15 -9.168 -10.556 -5.031
119 HE ARG 15 HE ARG 15 -11.039 -9.177 -3.705
120 HH11 ARG 15 HH11 ARG 15 -8.078 -8.112 -5.336
121 HH12 ARG 15 HH12 ARG 15 -8.718 -6.601 -5.800
122 HH21 ARG 15 HH21 ARG 15 -11.900 -7.024 -4.346
123 HH22 ARG 15 HH22 ARG 15 -10.868 -5.992 -5.227
124 H CYS 16 H CYS 16 -6.166 -13.026 -1.119
125 HA CYS 16 HA CYS 16 -5.428 -15.406 -2.451
126 HB2 CYS 16 HB2 CYS 16 -3.888 -13.613 -0.603
127 HB3 CYS 16 HB1 CYS 16 -3.198 -14.992 -1.461
128 H GLN 17 H GLN 17 -6.196 -14.662 0.907
129 HA GLN 17 HA GLN 17 -5.161 -17.030 2.036
130 HB2 GLN 17 HB2 GLN 17 -7.575 -15.445 2.945
131 HB3 GLN 17 HB1 GLN 17 -6.775 -16.688 3.886
132 HG2 GLN 17 HG2 GLN 17 -5.651 -14.019 3.066
133 HG3 GLN 17 HG1 GLN 17 -6.133 -14.520 4.682
134 HE21 GLN 17 1HE2 GLN 17 -4.808 -15.953 5.805
135 HE22 GLN 17 2HE2 GLN 17 -3.165 -16.226 5.351
136 H VAL 18 H VAL 18 -8.061 -16.395 0.277
137 HA VAL 18 HA VAL 18 -9.177 -19.006 0.912
138 HB VAL 18 HB VAL 18 -10.283 -16.727 -0.755
139 HG11 VAL 18 HG11 VAL 18 -11.189 -18.870 -1.504
140 HG12 VAL 18 HG12 VAL 18 -12.418 -17.899 -0.696
141 HG13 VAL 18 3HG1 VAL 18 -11.666 -19.250 0.151
142 HG21 VAL 18 HG21 VAL 18 -10.132 -16.162 1.594
143 HG22 VAL 18 HG22 VAL 18 -10.947 -17.660 2.034
144 HG23 VAL 18 HG23 VAL 18 -11.821 -16.410 1.149
145 H ALA 19 H ALA 19 -8.077 -17.201 -1.972
146 HA ALA 19 HA ALA 19 -8.629 -19.438 -3.686
147 HB1 ALA 19 HB1 ALA 19 -9.001 -17.149 -4.448
148 HB2 ALA 19 HB2 ALA 19 -7.871 -18.014 -5.496
149 HB3 ALA 19 HB3 ALA 19 -7.271 -16.839 -4.325
150 H GLU 20 H GLU 20 -5.635 -17.843 -2.567
151 HA GLU 20 HA GLU 20 -4.063 -19.628 -4.151
152 HB2 GLU 20 HB2 GLU 20 -3.169 -17.726 -1.978
153 HB3 GLU 20 HB1 GLU 20 -2.116 -18.570 -3.101
154 HG2 GLU 20 HG2 GLU 20 -4.135 -16.444 -3.776
155 HG3 GLU 20 HG1 GLU 20 -2.384 -16.273 -3.778
156 H ARG 21 H ARG 21 -3.442 -21.583 -3.557
157 HA ARG 21 HA ARG 21 -4.004 -22.375 -0.819
158 HB2 ARG 21 HB2 ARG 21 -3.415 -24.066 -3.235
159 HB3 ARG 21 HB1 ARG 21 -3.680 -24.723 -1.627
160 HG2 ARG 21 HG2 ARG 21 -5.910 -23.672 -1.612
161 HG3 ARG 21 HG1 ARG 21 -5.640 -23.144 -3.272
162 HD2 ARG 21 HD2 ARG 21 -6.966 -25.154 -3.224
163 HD3 ARG 21 HD1 ARG 21 -5.395 -25.497 -3.955
164 HE ARG 21 HE ARG 21 -5.051 -26.140 -1.347
165 HH11 ARG 21 HH11 ARG 21 -7.454 -27.111 -3.759
166 HH12 ARG 21 HH12 ARG 21 -7.736 -28.645 -3.073
167 HH21 ARG 21 HH21 ARG 21 -5.426 -28.268 -0.408
168 HH22 ARG 21 HH22 ARG 21 -6.570 -29.299 -1.098
169 H GLY 22 H GLY 22 -1.507 -21.189 -2.281
170 HA2 GLY 22 HA2 GLY 22 0.420 -22.741 -0.678
171 HA3 GLY 22 HA1 GLY 22 0.855 -21.667 -2.011
172 H VAL 23 H VAL 23 1.516 -21.766 0.967
173 HA VAL 23 HA VAL 23 0.250 -19.437 2.036
174 HB VAL 23 HB VAL 23 2.696 -20.900 3.093
175 HG11 VAL 23 HG11 VAL 23 2.451 -18.656 4.042
176 HG12 VAL 23 HG12 VAL 23 2.103 -19.887 5.256
177 HG13 VAL 23 3HG1 VAL 23 0.783 -19.015 4.480
178 HG21 VAL 23 HG21 VAL 23 -0.219 -21.258 3.785
179 HG22 VAL 23 HG22 VAL 23 1.129 -22.055 4.593
180 HG23 VAL 23 HG23 VAL 23 0.787 -22.399 2.897
181 H GLU 24 H GLU 24 3.236 -20.168 0.379
182 HA GLU 24 HA GLU 24 4.524 -17.729 0.859
183 HB2 GLU 24 HB2 GLU 24 5.876 -18.166 -1.125
184 HB3 GLU 24 HB1 GLU 24 5.732 -19.617 -0.151
185 HG2 GLU 24 HG2 GLU 24 4.263 -20.627 -1.695
186 HG3 GLU 24 HG1 GLU 24 3.969 -19.098 -2.521
187 H GLN 25 H GLN 25 2.140 -18.699 -1.474
188 HA GLN 25 HA GLN 25 2.251 -16.387 -3.097
189 HB2 GLN 25 HB2 GLN 25 0.005 -18.358 -2.670
190 HB3 GLN 25 HB1 GLN 25 0.068 -17.164 -3.962
191 HG2 GLN 25 HG2 GLN 25 1.992 -19.445 -3.556
192 HG3 GLN 25 HG1 GLN 25 0.714 -19.370 -4.762
193 HE21 GLN 25 1HE2 GLN 25 3.601 -19.653 -5.115
194 HE22 GLN 25 2HE2 GLN 25 4.068 -18.319 -6.102
195 H GLN 26 H GLN 26 0.195 -17.403 -0.454
196 HA GLN 26 HA GLN 26 -1.440 -15.121 -0.210
197 HB2 GLN 26 HB2 GLN 26 -0.417 -17.046 1.896
198 HB3 GLN 26 HB1 GLN 26 -1.724 -15.895 2.126
199 HG2 GLN 26 HG2 GLN 26 -3.118 -17.046 0.571
200 HG3 GLN 26 HG1 GLN 26 -1.788 -18.086 0.070
201 HE21 GLN 26 1HE2 GLN 26 -3.033 -19.894 0.582
202 HE22 GLN 26 2HE2 GLN 26 -3.257 -20.435 2.206
203 H ARG 27 H ARG 27 1.720 -15.846 1.217
204 HA ARG 27 HA ARG 27 1.929 -13.393 2.618
205 HB2 ARG 27 HB2 ARG 27 4.068 -15.314 1.702
206 HB3 ARG 27 HB1 ARG 27 4.396 -13.895 2.679
207 HG2 ARG 27 HG2 ARG 27 2.665 -16.234 3.466
208 HG3 ARG 27 HG1 ARG 27 4.296 -15.898 4.052
209 HD2 ARG 27 HD2 ARG 27 3.461 -13.741 4.966
210 HD3 ARG 27 HD1 ARG 27 1.834 -14.210 4.483
211 HE ARG 27 HE ARG 27 3.235 -16.068 6.176
212 HH11 ARG 27 HH11 ARG 27 0.806 -13.487 5.972
213 HH12 ARG 27 HH12 ARG 27 0.255 -13.696 7.568
214 HH21 ARG 27 HH21 ARG 27 2.431 -16.370 8.352
215 HH22 ARG 27 HH22 ARG 27 1.184 -15.361 8.938
216 H LYS 28 H LYS 28 3.057 -14.398 -0.577
217 HA LYS 28 HA LYS 28 4.349 -11.990 -1.203
218 HB2 LYS 28 HB2 LYS 28 3.154 -14.115 -2.982
219 HB3 LYS 28 HB1 LYS 28 4.061 -12.740 -3.607
220 HG2 LYS 28 HG2 LYS 28 6.034 -13.421 -2.447
221 HG3 LYS 28 HG1 LYS 28 5.149 -14.675 -1.586
222 HD2 LYS 28 HD2 LYS 28 4.779 -15.867 -3.683
223 HD3 LYS 28 HD1 LYS 28 5.633 -14.592 -4.563
224 HE2 LYS 28 HE2 LYS 28 7.658 -15.055 -3.357
225 HE3 LYS 28 HE1 LYS 28 6.839 -16.248 -2.351
226 HZ1 LYS 28 HZ1 LYS 28 6.590 -17.668 -4.248
227 HZ2 LYS 28 HZ2 LYS 28 8.198 -17.184 -4.173
228 HZ3 LYS 28 HZ3 LYS 28 7.161 -16.466 -5.287
229 H CYS 29 H CYS 29 1.033 -12.982 -1.514
230 HA CYS 29 HA CYS 29 0.002 -10.767 -2.841
231 HB2 CYS 29 HB2 CYS 29 -1.096 -12.621 -0.774
232 HB3 CYS 29 HB1 CYS 29 -2.133 -11.384 -1.427
233 H GLU 30 H GLU 30 0.611 -11.258 0.607
234 HA GLU 30 HA GLU 30 -0.306 -8.747 1.504
235 HB2 GLU 30 HB2 GLU 30 1.834 -10.552 2.658
236 HB3 GLU 30 HB1 GLU 30 1.072 -9.211 3.501
237 HG2 GLU 30 HG2 GLU 30 -1.053 -10.328 3.433
238 HG3 GLU 30 HG1 GLU 30 -0.362 -11.625 2.467
239 H GLN 31 H GLN 31 2.865 -9.964 0.644
240 HA GLN 31 HA GLN 31 4.427 -7.713 1.043
241 HB2 GLN 31 HB2 GLN 31 4.693 -9.862 -1.055
242 HB3 GLN 31 HB1 GLN 31 5.923 -8.674 -0.669
243 HG2 GLN 31 HG2 GLN 31 6.245 -9.576 1.503
244 HG3 GLN 31 HG1 GLN 31 4.833 -10.619 1.339
245 HE21 GLN 31 1HE2 GLN 31 7.009 -10.155 -1.335
246 HE22 GLN 31 2HE2 GLN 31 7.725 -11.709 -1.305
247 H VAL 32 H VAL 32 2.990 -8.759 -2.071
248 HA VAL 32 HA VAL 32 3.807 -6.513 -3.520
249 HB VAL 32 HB VAL 32 1.495 -8.409 -4.092
250 HG11 VAL 32 HG11 VAL 32 1.652 -7.642 -6.429
251 HG12 VAL 32 HG12 VAL 32 2.826 -6.418 -5.941
252 HG13 VAL 32 3HG1 VAL 32 1.171 -6.345 -5.338
253 HG21 VAL 32 HG21 VAL 32 3.067 -9.451 -5.664
254 HG22 VAL 32 HG22 VAL 32 3.661 -9.507 -4.004
255 HG23 VAL 32 HG23 VAL 32 4.320 -8.327 -5.138
256 H CYS 33 H CYS 33 0.793 -7.055 -1.707
257 HA CYS 33 HA CYS 33 -0.203 -4.552 -2.603
258 HB2 CYS 33 HB2 CYS 33 -1.214 -6.455 -0.484
259 HB3 CYS 33 HB1 CYS 33 -1.998 -4.908 -0.811
260 H GLU 34 H GLU 34 1.721 -5.539 0.120
261 HA GLU 34 HA GLU 34 1.475 -3.138 1.609
262 HB2 GLU 34 HB2 GLU 34 2.383 -5.297 2.506
263 HB3 GLU 34 HB1 GLU 34 3.812 -5.059 1.514
264 HG2 GLU 34 HG2 GLU 34 4.248 -2.950 2.735
265 HG3 GLU 34 HG1 GLU 34 2.880 -3.319 3.782
266 H GLU 35 H GLU 35 3.643 -4.199 -0.959
267 HA GLU 35 HA GLU 35 5.384 -2.010 -0.992
268 HB2 GLU 35 HB2 GLU 35 4.425 -3.668 -3.330
269 HB3 GLU 35 HB1 GLU 35 5.811 -2.591 -3.361
270 HG2 GLU 35 HG2 GLU 35 6.898 -3.966 -1.645
271 HG3 GLU 35 HG1 GLU 35 5.512 -5.055 -1.662
272 H ARG 36 H ARG 36 2.153 -2.333 -2.159
273 HA ARG 36 HA ARG 36 2.234 0.113 -3.684
274 HB2 ARG 36 HB2 ARG 36 0.805 -1.866 -4.299
275 HB3 ARG 36 HB1 ARG 36 -0.181 -1.544 -2.885
276 HG2 ARG 36 HG2 ARG 36 0.189 0.538 -5.021
277 HG3 ARG 36 HG1 ARG 36 -0.982 -0.758 -5.213
278 HD2 ARG 36 HD2 ARG 36 -0.935 1.114 -2.850
279 HD3 ARG 36 HD1 ARG 36 -1.881 1.415 -4.306
280 HE ARG 36 HE ARG 36 -2.373 -1.152 -3.118
281 HH11 ARG 36 HH11 ARG 36 -3.212 2.283 -2.896
282 HH12 ARG 36 HH12 ARG 36 -4.809 2.018 -2.416
283 HH21 ARG 36 HH21 ARG 36 -4.600 -1.514 -2.348
284 HH22 ARG 36 HH22 ARG 36 -5.628 -0.156 -2.149
285 H LEU 37 H LEU 37 1.089 -0.953 -0.527
286 HA LEU 37 HA LEU 37 -0.010 1.584 0.145
287 HB2 LEU 37 HB2 LEU 37 0.467 -0.899 1.702
288 HB3 LEU 37 HB1 LEU 37 0.246 0.598 2.581
289 HG LEU 37 HG LEU 37 -1.881 0.881 1.291
290 HD11 LEU 37 HD11 LEU 37 -1.712 -0.507 -0.513
291 HD12 LEU 37 HD12 LEU 37 -2.981 -1.212 0.499
292 HD13 LEU 37 HD13 LEU 37 -1.355 -1.911 0.469
293 HD21 LEU 37 HD21 LEU 37 -1.890 0.322 3.618
294 HD22 LEU 37 HD22 LEU 37 -1.664 -1.386 3.244
295 HD23 LEU 37 HD23 LEU 37 -3.163 -0.574 2.790
296 H ARG 38 H ARG 38 3.128 0.395 0.137
297 HA ARG 38 HA ARG 38 4.493 1.710 2.124
298 HB2 ARG 38 HB2 ARG 38 5.399 0.201 0.283
299 HB3 ARG 38 HB1 ARG 38 5.428 1.634 -0.733
300 HG2 ARG 38 HG2 ARG 38 7.612 1.380 0.091
301 HG3 ARG 38 HG1 ARG 38 6.897 2.690 1.038
302 HD2 ARG 38 HD2 ARG 38 8.076 1.215 2.525
303 HD3 ARG 38 HD1 ARG 38 6.344 1.019 2.806
304 HE ARG 38 HE ARG 38 7.769 -0.789 1.004
305 HH11 ARG 38 HH11 ARG 38 5.693 -0.390 3.881
306 HH12 ARG 38 HH12 ARG 38 5.645 -2.059 4.177
307 HH21 ARG 38 HH21 ARG 38 7.573 -3.101 1.444
308 HH22 ARG 38 HH22 ARG 38 6.654 -3.590 2.782
309 H GLU 39 H GLU 39 3.285 2.988 -0.904
310 HA GLU 39 HA GLU 39 4.402 5.556 -0.984
311 HB2 GLU 39 HB2 GLU 39 1.640 4.747 -1.897
312 HB3 GLU 39 HB1 GLU 39 2.577 6.109 -2.476
313 HG2 GLU 39 HG2 GLU 39 3.268 3.203 -2.878
314 HG3 GLU 39 HG1 GLU 39 2.540 4.266 -4.075
315 H ARG 40 H ARG 40 1.750 4.243 0.838
316 HA ARG 40 HA ARG 40 0.751 6.864 1.628
317 HB2 ARG 40 HB2 ARG 40 -0.266 4.079 2.194
318 HB3 ARG 40 HB1 ARG 40 -1.053 5.548 2.738
319 HG2 ARG 40 HG2 ARG 40 -0.615 4.722 -0.127
320 HG3 ARG 40 HG1 ARG 40 -2.143 4.650 0.756
321 HD2 ARG 40 HD2 ARG 40 -2.101 7.073 1.033
322 HD3 ARG 40 HD1 ARG 40 -0.559 7.151 0.189
323 HE ARG 40 HE ARG 40 -2.650 5.915 -1.309
324 HH11 ARG 40 HH11 ARG 40 -1.088 8.986 -0.452
325 HH12 ARG 40 HH12 ARG 40 -1.631 9.825 -1.820
326 HH21 ARG 40 HH21 ARG 40 -3.392 7.045 -3.197
327 HH22 ARG 40 HH22 ARG 40 -3.005 8.686 -3.440
328 H GLU 41 H GLU 41 2.638 4.240 2.832
329 HA GLU 41 HA GLU 41 2.348 4.881 5.606
330 HB2 GLU 41 HB2 GLU 41 4.578 3.358 4.267
331 HB3 GLU 41 HB1 GLU 41 4.160 3.332 5.970
332 HG2 GLU 41 HG2 GLU 41 2.013 2.285 5.399
333 HG3 GLU 41 HG1 GLU 41 2.503 2.264 3.705
334 H GLN 42 H GLN 42 4.715 5.558 3.095
335 HA GLN 42 HA GLN 42 6.201 7.275 4.948
336 HB2 GLN 42 HB2 GLN 42 6.942 6.242 2.207
337 HB3 GLN 42 HB1 GLN 42 7.981 7.189 3.261
338 HG2 GLN 42 HG2 GLN 42 8.005 5.399 4.895
339 HG3 GLN 42 HG1 GLN 42 6.894 4.457 3.904
340 HE21 GLN 42 1HE2 GLN 42 10.166 5.604 4.236
341 HE22 GLN 42 2HE2 GLN 42 10.823 4.542 3.039
342 H GLY 43 H GLY 43 3.622 7.795 3.374
343 HA2 GLY 43 HA2 GLY 43 4.418 10.422 2.389
344 HA3 GLY 43 HA1 GLY 43 3.555 9.357 1.287
345 H ARG 44 H ARG 44 1.787 10.684 1.152
346 HA ARG 44 HA ARG 44 0.369 11.444 3.546
347 HB2 ARG 44 HB2 ARG 44 -0.351 11.809 0.635
348 HB3 ARG 44 HB1 ARG 44 -1.249 12.476 1.989
349 HG2 ARG 44 HG2 ARG 44 0.664 13.804 2.642
350 HG3 ARG 44 HG1 ARG 44 1.613 13.111 1.331
351 HD2 ARG 44 HD2 ARG 44 0.104 14.072 -0.297
352 HD3 ARG 44 HD1 ARG 44 -0.904 14.730 0.992
353 HE ARG 44 HE ARG 44 1.665 15.635 1.413
354 HH11 ARG 44 HH11 ARG 44 -0.813 16.050 -1.084
355 HH12 ARG 44 HH12 ARG 44 -0.294 17.631 -1.485
356 HH21 ARG 44 HH21 ARG 44 2.334 17.756 0.848
357 HH22 ARG 44 HH22 ARG 44 1.507 18.616 -0.393
358 H GLY 45 H GLY 45 -0.376 9.738 4.509
359 HA2 GLY 45 HA2 GLY 45 -1.494 7.495 3.187
360 HA3 GLY 45 HA1 GLY 45 -1.503 7.795 4.919
361 H GLU 46 H GLU 46 -2.854 10.173 5.022
362 HA GLU 46 HA GLU 46 -4.891 11.010 5.306
363 HB2 GLU 46 HB2 GLU 46 -5.374 9.838 2.597
364 HB3 GLU 46 HB1 GLU 46 -6.456 10.973 3.393
365 HG2 GLU 46 HG2 GLU 46 -4.574 12.603 3.455
366 HG3 GLU 46 HG1 GLU 46 -3.631 11.466 2.493
367 H ASP 47 H ASP 47 -5.795 8.176 3.639
368 HA ASP 47 HA ASP 47 -8.054 7.572 5.282
369 HB2 ASP 47 HB2 ASP 47 -6.464 5.808 3.416
370 HB3 ASP 47 HB1 ASP 47 -8.000 5.352 4.137
371 H VAL 48 H VAL 48 -4.737 6.574 5.154
372 HA VAL 48 HA VAL 48 -5.147 4.945 7.532
373 HB VAL 48 HB VAL 48 -2.976 3.868 7.044
374 HG11 VAL 48 HG11 VAL 48 -4.989 2.805 6.274
375 HG12 VAL 48 HG12 VAL 48 -3.718 2.576 5.068
376 HG13 VAL 48 3HG1 VAL 48 -4.984 3.782 4.811
377 HG21 VAL 48 HG21 VAL 48 -1.909 4.174 4.845
378 HG22 VAL 48 HG22 VAL 48 -1.889 5.662 5.792
379 HG23 VAL 48 HG23 VAL 48 -3.052 5.468 4.481
380 H ASP 49 H ASP 49 -3.752 5.133 9.279
381 HA ASP 49 HA ASP 49 -1.962 7.422 9.386
382 HB2 ASP 49 HB2 ASP 49 -4.039 8.306 10.297
383 HB3 ASP 49 HB1 ASP 49 -4.221 6.901 11.340
Start of MODEL 4
1 H PCA 1 H PGL 1 -13.177 6.696 8.259
2 HA PCA 1 HA PGL 1 -14.502 8.232 6.614
3 HB2 PCA 1 HB1 PGL 1 -13.391 10.171 6.169
4 HB3 PCA 1 HB2 PGL 1 -12.026 9.237 5.497
5 HG2 PCA 1 HG1 PGL 1 -12.153 10.597 8.039
6 HG3 PCA 1 HG2 PGL 1 -10.814 9.594 7.382
7 H ARG 2 H ARG 2 -13.842 8.219 4.155
8 HA ARG 2 HA ARG 2 -13.184 5.462 3.590
9 HB2 ARG 2 HB2 ARG 2 -13.837 6.005 1.272
10 HB3 ARG 2 HB1 ARG 2 -15.077 6.474 2.418
11 HG2 ARG 2 HG2 ARG 2 -14.173 8.825 2.266
12 HG3 ARG 2 HG1 ARG 2 -13.158 8.254 0.945
13 HD2 ARG 2 HD2 ARG 2 -15.211 9.258 0.083
14 HD3 ARG 2 HD1 ARG 2 -15.132 7.535 -0.291
15 HE ARG 2 HE ARG 2 -16.592 8.364 2.088
16 HH11 ARG 2 HH11 ARG 2 -16.796 7.311 -1.296
17 HH12 ARG 2 HH12 ARG 2 -18.358 6.675 -1.158
18 HH21 ARG 2 HH21 ARG 2 -18.790 7.479 2.270
19 HH22 ARG 2 HH22 ARG 2 -19.510 6.767 0.910
20 H GLY 3 H GLY 3 -11.698 5.123 1.558
21 HA2 GLY 3 HA2 GLY 3 -9.637 5.504 0.542
22 HA3 GLY 3 HA1 GLY 3 -9.542 7.034 1.400
23 H SER 4 H SER 4 -10.199 4.027 2.969
24 HA SER 4 HA SER 4 -8.012 4.444 4.786
25 HB2 SER 4 HB2 SER 4 -9.927 2.127 4.732
26 HB3 SER 4 HB1 SER 4 -9.135 2.884 6.117
27 HG SER 4 HG SER 4 -10.409 4.785 5.641
28 HA PRO 5 HA PRO 5 -5.416 1.905 2.039
29 HB2 PRO 5 HB2 PRO 5 -3.394 1.535 3.914
30 HB3 PRO 5 HB1 PRO 5 -3.504 2.890 2.789
31 HG2 PRO 5 HG2 PRO 5 -4.317 2.733 5.657
32 HG3 PRO 5 HG1 PRO 5 -3.551 4.070 4.782
33 HD2 PRO 5 HD2 PRO 5 -6.142 4.110 5.377
34 HD3 PRO 5 HD1 PRO 5 -5.559 4.756 3.830
35 H ARG 6 H ARG 6 -6.026 0.963 5.413
36 HA ARG 6 HA ARG 6 -5.189 -1.718 5.082
37 HB2 ARG 6 HB2 ARG 6 -6.935 -0.464 7.178
38 HB3 ARG 6 HB1 ARG 6 -6.478 -2.155 7.191
39 HG2 ARG 6 HG2 ARG 6 -4.157 -1.565 7.407
40 HG3 ARG 6 HG1 ARG 6 -4.557 0.153 7.276
41 HD2 ARG 6 HD2 ARG 6 -5.597 -1.691 9.429
42 HD3 ARG 6 HD1 ARG 6 -4.222 -0.609 9.622
43 HE ARG 6 HE ARG 6 -5.699 1.233 9.223
44 HH11 ARG 6 HH11 ARG 6 -7.314 -1.822 10.065
45 HH12 ARG 6 HH12 ARG 6 -8.683 -1.085 10.747
46 HH21 ARG 6 HH21 ARG 6 -7.612 2.249 10.215
47 HH22 ARG 6 HH22 ARG 6 -8.841 1.271 10.859
48 H ALA 7 H ALA 7 -8.215 -0.130 4.497
49 HA ALA 7 HA ALA 7 -9.929 -2.350 4.595
50 HB1 ALA 7 HB1 ALA 7 -10.144 0.116 2.880
51 HB2 ALA 7 HB2 ALA 7 -10.765 -0.056 4.524
52 HB3 ALA 7 HB3 ALA 7 -11.447 -1.021 3.211
53 H GLU 8 H GLU 8 -8.473 -0.795 1.737
54 HA GLU 8 HA GLU 8 -9.120 -2.877 -0.030
55 HB2 GLU 8 HB2 GLU 8 -7.128 -0.641 -0.150
56 HB3 GLU 8 HB1 GLU 8 -7.241 -1.826 -1.433
57 HG2 GLU 8 HG2 GLU 8 -8.455 0.144 -2.049
58 HG3 GLU 8 HG1 GLU 8 -9.584 -1.180 -1.787
59 H TYR 9 H TYR 9 -6.366 -2.278 2.018
60 HA TYR 9 HA TYR 9 -4.507 -4.113 1.060
61 HB2 TYR 9 HB2 TYR 9 -4.078 -2.450 2.822
62 HB3 TYR 9 HB1 TYR 9 -5.129 -3.348 3.901
63 HD1 TYR 9 HD1 TYR 9 -1.873 -3.268 2.281
64 HD2 TYR 9 HD2 TYR 9 -4.358 -5.366 4.995
65 HE1 TYR 9 HE1 TYR 9 0.070 -4.457 3.091
66 HE2 TYR 9 HE2 TYR 9 -2.453 -6.603 5.828
67 HH TYR 9 HH TYR 9 0.762 -5.649 5.151
68 H GLU 10 H GLU 10 -7.006 -4.554 3.544
69 HA GLU 10 HA GLU 10 -6.443 -7.286 3.868
70 HB2 GLU 10 HB2 GLU 10 -8.862 -5.690 4.679
71 HB3 GLU 10 HB1 GLU 10 -8.566 -7.371 5.143
72 HG2 GLU 10 HG2 GLU 10 -6.540 -6.644 6.318
73 HG3 GLU 10 HG1 GLU 10 -6.907 -4.974 5.880
74 H VAL 11 H VAL 11 -8.687 -5.580 1.739
75 HA VAL 11 HA VAL 11 -10.100 -7.895 0.857
76 HB VAL 11 HB VAL 11 -9.537 -5.346 -0.722
77 HG11 VAL 11 HG11 VAL 11 -11.480 -5.978 -2.095
78 HG12 VAL 11 HG12 VAL 11 -11.603 -7.496 -1.206
79 HG13 VAL 11 3HG1 VAL 11 -10.184 -7.171 -2.201
80 HG21 VAL 11 HG21 VAL 11 -10.761 -4.857 1.306
81 HG22 VAL 11 HG22 VAL 11 -11.931 -6.123 0.934
82 HG23 VAL 11 HG23 VAL 11 -11.825 -4.691 -0.091
83 H CYS 12 H CYS 12 -7.227 -6.242 -0.258
84 HA CYS 12 HA CYS 12 -6.594 -7.755 -2.484
85 HB2 CYS 12 HB2 CYS 12 -5.500 -5.619 -1.837
86 HB3 CYS 12 HB1 CYS 12 -4.711 -6.443 -0.504
87 H ARG 13 H ARG 13 -5.748 -8.311 0.922
88 HA ARG 13 HA ARG 13 -4.259 -10.688 0.452
89 HB2 ARG 13 HB2 ARG 13 -5.781 -9.994 2.964
90 HB3 ARG 13 HB1 ARG 13 -4.496 -11.175 2.821
91 HG2 ARG 13 HG2 ARG 13 -2.977 -9.266 2.215
92 HG3 ARG 13 HG1 ARG 13 -4.295 -8.186 2.675
93 HD2 ARG 13 HD2 ARG 13 -2.898 -10.203 4.443
94 HD3 ARG 13 HD1 ARG 13 -2.813 -8.451 4.554
95 HE ARG 13 HE ARG 13 -5.473 -9.127 4.838
96 HH11 ARG 13 HH11 ARG 13 -2.506 -10.156 6.505
97 HH12 ARG 13 HH12 ARG 13 -3.205 -10.100 8.048
98 HH21 ARG 13 HH21 ARG 13 -6.451 -9.178 6.981
99 HH22 ARG 13 HH22 ARG 13 -5.481 -9.553 8.322
100 H LEU 14 H LEU 14 -7.620 -10.061 1.308
101 HA LEU 14 HA LEU 14 -8.571 -12.613 1.764
102 HB2 LEU 14 HB2 LEU 14 -9.832 -10.564 2.194
103 HB3 LEU 14 HB1 LEU 14 -9.990 -10.288 0.475
104 HG LEU 14 HG LEU 14 -11.360 -12.348 0.303
105 HD11 LEU 14 HD11 LEU 14 -11.195 -12.336 3.310
106 HD12 LEU 14 HD12 LEU 14 -10.496 -13.541 2.230
107 HD13 LEU 14 HD13 LEU 14 -12.247 -13.364 2.336
108 HD21 LEU 14 HD21 LEU 14 -12.341 -10.287 2.271
109 HD22 LEU 14 HD22 LEU 14 -13.354 -11.405 1.358
110 HD23 LEU 14 HD23 LEU 14 -12.419 -10.170 0.512
111 H ARG 15 H ARG 15 -8.312 -10.902 -1.307
112 HA ARG 15 HA ARG 15 -9.522 -12.790 -2.988
113 HB2 ARG 15 HB2 ARG 15 -7.158 -11.034 -3.666
114 HB3 ARG 15 HB1 ARG 15 -8.234 -11.810 -4.816
115 HG2 ARG 15 HG2 ARG 15 -10.097 -10.454 -3.931
116 HG3 ARG 15 HG1 ARG 15 -8.952 -9.638 -2.866
117 HD2 ARG 15 HD2 ARG 15 -8.906 -9.661 -5.878
118 HD3 ARG 15 HD1 ARG 15 -9.341 -8.307 -4.835
119 HE ARG 15 HE ARG 15 -6.866 -8.872 -4.016
120 HH11 ARG 15 HH11 ARG 15 -8.191 -8.348 -7.260
121 HH12 ARG 15 HH12 ARG 15 -6.758 -7.699 -7.903
122 HH21 ARG 15 HH21 ARG 15 -4.851 -7.924 -4.935
123 HH22 ARG 15 HH22 ARG 15 -4.855 -7.454 -6.567
124 H CYS 16 H CYS 16 -6.134 -12.488 -2.006
125 HA CYS 16 HA CYS 16 -5.293 -14.789 -3.415
126 HB2 CYS 16 HB2 CYS 16 -4.008 -13.154 -1.261
127 HB3 CYS 16 HB1 CYS 16 -3.269 -14.624 -1.877
128 H GLN 17 H GLN 17 -6.497 -14.275 -0.165
129 HA GLN 17 HA GLN 17 -5.554 -16.707 0.870
130 HB2 GLN 17 HB2 GLN 17 -7.851 -14.988 1.764
131 HB3 GLN 17 HB1 GLN 17 -7.281 -16.396 2.653
132 HG2 GLN 17 HG2 GLN 17 -5.076 -15.376 2.860
133 HG3 GLN 17 HG1 GLN 17 -5.651 -13.965 1.978
134 HE21 GLN 17 1HE2 GLN 17 -7.022 -12.553 2.979
135 HE22 GLN 17 2HE2 GLN 17 -7.254 -12.520 4.680
136 H VAL 18 H VAL 18 -8.408 -16.010 -0.964
137 HA VAL 18 HA VAL 18 -9.305 -18.720 -0.510
138 HB VAL 18 HB VAL 18 -10.991 -16.952 -0.498
139 HG11 VAL 18 HG11 VAL 18 -10.020 -15.441 -2.040
140 HG12 VAL 18 HG12 VAL 18 -11.667 -15.844 -2.564
141 HG13 VAL 18 3HG1 VAL 18 -10.263 -16.584 -3.358
142 HG21 VAL 18 HG21 VAL 18 -12.637 -17.983 -2.013
143 HG22 VAL 18 HG22 VAL 18 -11.729 -19.178 -1.087
144 HG23 VAL 18 HG23 VAL 18 -11.335 -18.891 -2.781
145 H ALA 19 H ALA 19 -7.629 -16.929 -2.967
146 HA ALA 19 HA ALA 19 -7.999 -18.988 -4.976
147 HB1 ALA 19 HB1 ALA 19 -7.827 -16.633 -5.648
148 HB2 ALA 19 HB2 ALA 19 -6.552 -17.607 -6.380
149 HB3 ALA 19 HB3 ALA 19 -6.189 -16.572 -5.001
150 H GLU 20 H GLU 20 -5.364 -17.776 -2.988
151 HA GLU 20 HA GLU 20 -3.592 -19.969 -3.771
152 HB2 GLU 20 HB2 GLU 20 -3.068 -17.580 -1.988
153 HB3 GLU 20 HB1 GLU 20 -1.881 -18.678 -2.662
154 HG2 GLU 20 HG2 GLU 20 -3.559 -16.738 -4.237
155 HG3 GLU 20 HG1 GLU 20 -1.887 -16.481 -3.747
156 H ARG 21 H ARG 21 -3.669 -21.699 -2.372
157 HA ARG 21 HA ARG 21 -4.450 -21.066 0.369
158 HB2 ARG 21 HB2 ARG 21 -4.555 -23.703 -1.085
159 HB3 ARG 21 HB1 ARG 21 -4.878 -23.521 0.635
160 HG2 ARG 21 HG2 ARG 21 -6.737 -22.038 0.123
161 HG3 ARG 21 HG1 ARG 21 -6.420 -22.227 -1.598
162 HD2 ARG 21 HD2 ARG 21 -8.208 -23.708 -0.972
163 HD3 ARG 21 HD1 ARG 21 -6.772 -24.659 -1.335
164 HE ARG 21 HE ARG 21 -6.797 -24.144 1.397
165 HH11 ARG 21 HH11 ARG 21 -8.613 -26.015 -1.014
166 HH12 ARG 21 HH12 ARG 21 -9.177 -27.167 0.105
167 HH21 ARG 21 HH21 ARG 21 -7.618 -25.770 2.950
168 HH22 ARG 21 HH22 ARG 21 -8.624 -27.013 2.353
169 H GLY 22 H GLY 22 -1.888 -21.316 -1.348
170 HA2 GLY 22 HA2 GLY 22 -0.186 -22.857 0.378
171 HA3 GLY 22 HA1 GLY 22 0.342 -21.793 -0.927
172 H VAL 23 H VAL 23 1.127 -22.122 1.928
173 HA VAL 23 HA VAL 23 0.240 -19.880 3.390
174 HB VAL 23 HB VAL 23 2.737 -21.543 3.773
175 HG11 VAL 23 HG11 VAL 23 2.822 -20.647 6.051
176 HG12 VAL 23 HG12 VAL 23 1.434 -19.623 5.709
177 HG13 VAL 23 3HG1 VAL 23 2.958 -19.344 4.869
178 HG21 VAL 23 HG21 VAL 23 0.041 -21.670 5.117
179 HG22 VAL 23 HG22 VAL 23 1.441 -22.660 5.528
180 HG23 VAL 23 HG23 VAL 23 0.676 -22.825 3.948
181 H GLU 24 H GLU 24 3.333 -20.457 1.703
182 HA GLU 24 HA GLU 24 4.305 -17.851 2.123
183 HB2 GLU 24 HB2 GLU 24 5.945 -18.323 0.382
184 HB3 GLU 24 HB1 GLU 24 5.792 -19.682 1.490
185 HG2 GLU 24 HG2 GLU 24 4.519 -20.912 -0.119
186 HG3 GLU 24 HG1 GLU 24 4.450 -19.519 -1.196
187 H GLN 25 H GLN 25 2.218 -19.204 -0.215
188 HA GLN 25 HA GLN 25 2.381 -17.226 -2.227
189 HB2 GLN 25 HB2 GLN 25 0.041 -19.018 -1.558
190 HB3 GLN 25 HB1 GLN 25 0.310 -18.192 -3.091
191 HG2 GLN 25 HG2 GLN 25 2.299 -19.523 -3.490
192 HG3 GLN 25 HG1 GLN 25 2.122 -20.291 -1.921
193 HE21 GLN 25 1HE2 GLN 25 -0.491 -19.602 -4.239
194 HE22 GLN 25 2HE2 GLN 25 -0.876 -21.264 -4.460
195 H GLN 26 H GLN 26 0.056 -17.704 0.431
196 HA GLN 26 HA GLN 26 -1.262 -15.231 0.023
197 HB2 GLN 26 HB2 GLN 26 -1.080 -17.029 2.432
198 HB3 GLN 26 HB1 GLN 26 -2.005 -15.536 2.440
199 HG2 GLN 26 HG2 GLN 26 -3.404 -16.373 0.642
200 HG3 GLN 26 HG1 GLN 26 -2.455 -17.856 0.579
201 HE21 GLN 26 1HE2 GLN 26 -4.300 -19.041 1.006
202 HE22 GLN 26 2HE2 GLN 26 -4.973 -19.177 2.591
203 H ARG 27 H ARG 27 1.455 -16.177 2.020
204 HA ARG 27 HA ARG 27 1.868 -13.840 3.458
205 HB2 ARG 27 HB2 ARG 27 3.759 -15.917 2.423
206 HB3 ARG 27 HB1 ARG 27 4.340 -14.545 3.349
207 HG2 ARG 27 HG2 ARG 27 2.161 -16.283 4.424
208 HG3 ARG 27 HG1 ARG 27 3.848 -16.772 4.567
209 HD2 ARG 27 HD2 ARG 27 2.707 -14.151 5.541
210 HD3 ARG 27 HD1 ARG 27 3.033 -15.557 6.552
211 HE ARG 27 HE ARG 27 5.381 -15.167 5.329
212 HH11 ARG 27 HH11 ARG 27 3.349 -12.966 7.226
213 HH12 ARG 27 HH12 ARG 27 4.663 -12.022 7.778
214 HH21 ARG 27 HH21 ARG 27 7.167 -13.840 6.082
215 HH22 ARG 27 HH22 ARG 27 6.853 -12.536 7.124
216 H LYS 28 H LYS 28 3.329 -14.723 0.318
217 HA LYS 28 HA LYS 28 4.591 -12.242 -0.029
218 HB2 LYS 28 HB2 LYS 28 3.774 -14.275 -2.083
219 HB3 LYS 28 HB1 LYS 28 4.753 -12.859 -2.442
220 HG2 LYS 28 HG2 LYS 28 6.432 -13.697 -0.794
221 HG3 LYS 28 HG1 LYS 28 5.476 -15.173 -0.657
222 HD2 LYS 28 HD2 LYS 28 6.697 -14.103 -3.206
223 HD3 LYS 28 HD1 LYS 28 7.342 -15.424 -2.235
224 HE2 LYS 28 HE2 LYS 28 5.361 -16.748 -2.671
225 HE3 LYS 28 HE1 LYS 28 4.627 -15.409 -3.550
226 HZ1 LYS 28 HZ1 LYS 28 6.400 -15.571 -5.187
227 HZ2 LYS 28 HZ2 LYS 28 5.553 -17.010 -5.056
228 HZ3 LYS 28 HZ3 LYS 28 7.078 -16.885 -4.370
229 H CYS 29 H CYS 29 1.369 -13.343 -0.944
230 HA CYS 29 HA CYS 29 0.643 -11.130 -2.466
231 HB2 CYS 29 HB2 CYS 29 -0.920 -13.053 -0.808
232 HB3 CYS 29 HB1 CYS 29 -1.733 -11.627 -1.420
233 H GLU 30 H GLU 30 0.402 -11.595 1.050
234 HA GLU 30 HA GLU 30 -0.814 -9.145 1.683
235 HB2 GLU 30 HB2 GLU 30 1.271 -10.543 3.338
236 HB3 GLU 30 HB1 GLU 30 0.042 -9.435 3.919
237 HG2 GLU 30 HG2 GLU 30 -1.681 -11.100 3.229
238 HG3 GLU 30 HG1 GLU 30 -0.373 -12.191 2.813
239 H GLN 31 H GLN 31 2.525 -10.038 1.215
240 HA GLN 31 HA GLN 31 3.699 -7.597 1.985
241 HB2 GLN 31 HB2 GLN 31 4.709 -9.746 0.142
242 HB3 GLN 31 HB1 GLN 31 5.664 -8.411 0.772
243 HG2 GLN 31 HG2 GLN 31 5.427 -9.227 3.008
244 HG3 GLN 31 HG1 GLN 31 4.326 -10.493 2.466
245 HE21 GLN 31 1HE2 GLN 31 7.110 -9.572 0.596
246 HE22 GLN 31 2HE2 GLN 31 8.018 -11.010 0.896
247 H VAL 32 H VAL 32 2.758 -8.890 -1.205
248 HA VAL 32 HA VAL 32 3.634 -6.613 -2.638
249 HB VAL 32 HB VAL 32 1.551 -8.681 -3.457
250 HG11 VAL 32 HG11 VAL 32 2.012 -7.961 -5.763
251 HG12 VAL 32 HG12 VAL 32 3.068 -6.689 -5.149
252 HG13 VAL 32 3HG1 VAL 32 1.342 -6.651 -4.793
253 HG21 VAL 32 HG21 VAL 32 4.488 -8.476 -4.065
254 HG22 VAL 32 HG22 VAL 32 3.375 -9.652 -4.757
255 HG23 VAL 32 HG23 VAL 32 3.710 -9.670 -3.023
256 H CYS 33 H CYS 33 0.584 -7.439 -1.127
257 HA CYS 33 HA CYS 33 -0.847 -5.175 -2.059
258 HB2 CYS 33 HB2 CYS 33 -1.246 -6.698 0.535
259 HB3 CYS 33 HB1 CYS 33 -2.418 -5.624 -0.218
260 H GLU 34 H GLU 34 1.393 -5.699 0.546
261 HA GLU 34 HA GLU 34 1.033 -3.191 1.848
262 HB2 GLU 34 HB2 GLU 34 1.953 -5.215 2.940
263 HB3 GLU 34 HB1 GLU 34 3.323 -5.144 1.859
264 HG2 GLU 34 HG2 GLU 34 4.112 -3.153 2.863
265 HG3 GLU 34 HG1 GLU 34 2.639 -2.989 3.825
266 H GLU 35 H GLU 35 3.120 -4.443 -0.665
267 HA GLU 35 HA GLU 35 4.663 -2.098 -1.017
268 HB2 GLU 35 HB2 GLU 35 3.963 -4.255 -3.032
269 HB3 GLU 35 HB1 GLU 35 5.187 -3.019 -3.274
270 HG2 GLU 35 HG2 GLU 35 6.435 -3.908 -1.352
271 HG3 GLU 35 HG1 GLU 35 5.223 -5.170 -1.170
272 H ARG 36 H ARG 36 1.551 -3.145 -2.135
273 HA ARG 36 HA ARG 36 1.110 -1.022 -3.976
274 HB2 ARG 36 HB2 ARG 36 -0.209 -3.273 -3.732
275 HB3 ARG 36 HB1 ARG 36 -1.116 -2.414 -2.500
276 HG2 ARG 36 HG2 ARG 36 -1.726 -0.699 -4.141
277 HG3 ARG 36 HG1 ARG 36 -0.849 -1.593 -5.381
278 HD2 ARG 36 HD2 ARG 36 -3.124 -2.175 -5.651
279 HD3 ARG 36 HD1 ARG 36 -2.367 -3.549 -4.846
280 HE ARG 36 HE ARG 36 -3.457 -1.724 -2.983
281 HH11 ARG 36 HH11 ARG 36 -4.395 -4.360 -5.167
282 HH12 ARG 36 HH12 ARG 36 -5.898 -4.631 -4.429
283 HH21 ARG 36 HH21 ARG 36 -5.492 -2.091 -1.992
284 HH22 ARG 36 HH22 ARG 36 -6.554 -3.312 -2.553
285 H LEU 37 H LEU 37 0.901 -1.367 -0.557
286 HA LEU 37 HA LEU 37 -0.466 1.143 -0.244
287 HB2 LEU 37 HB2 LEU 37 0.797 -0.676 1.740
288 HB3 LEU 37 HB1 LEU 37 0.115 0.851 2.207
289 HG LEU 37 HG LEU 37 -1.234 -1.626 1.286
290 HD11 LEU 37 HD11 LEU 37 -2.551 -1.114 3.298
291 HD12 LEU 37 HD12 LEU 37 -1.559 0.354 3.465
292 HD13 LEU 37 HD13 LEU 37 -0.801 -1.236 3.599
293 HD21 LEU 37 HD21 LEU 37 -2.452 1.147 1.260
294 HD22 LEU 37 HD22 LEU 37 -3.351 -0.362 1.132
295 HD23 LEU 37 HD23 LEU 37 -2.221 0.091 -0.140
296 H ARG 38 H ARG 38 2.825 0.022 -0.174
297 HA ARG 38 HA ARG 38 4.085 2.306 0.820
298 HB2 ARG 38 HB2 ARG 38 5.330 0.249 0.223
299 HB3 ARG 38 HB1 ARG 38 5.004 0.548 -1.477
300 HG2 ARG 38 HG2 ARG 38 6.273 2.665 -1.316
301 HG3 ARG 38 HG1 ARG 38 6.670 2.265 0.352
302 HD2 ARG 38 HD2 ARG 38 7.836 0.265 -0.388
303 HD3 ARG 38 HD1 ARG 38 7.399 0.605 -2.063
304 HE ARG 38 HE ARG 38 8.895 2.619 -0.588
305 HH11 ARG 38 HH11 ARG 38 8.895 0.178 -3.173
306 HH12 ARG 38 HH12 ARG 38 10.394 0.649 -3.801
307 HH21 ARG 38 HH21 ARG 38 10.949 3.312 -1.536
308 HH22 ARG 38 HH22 ARG 38 11.555 2.475 -2.885
309 H GLU 39 H GLU 39 3.232 1.489 -2.512
310 HA GLU 39 HA GLU 39 3.815 4.039 -3.555
311 HB2 GLU 39 HB2 GLU 39 2.562 3.284 -5.541
312 HB3 GLU 39 HB1 GLU 39 3.771 2.121 -5.014
313 HG2 GLU 39 HG2 GLU 39 2.121 0.753 -4.026
314 HG3 GLU 39 HG1 GLU 39 0.873 1.964 -4.295
315 H ARG 40 H ARG 40 1.013 2.810 -1.809
316 HA ARG 40 HA ARG 40 -0.888 4.585 -2.945
317 HB2 ARG 40 HB2 ARG 40 -1.283 2.409 -1.628
318 HB3 ARG 40 HB1 ARG 40 -1.016 3.373 -0.182
319 HG2 ARG 40 HG2 ARG 40 -3.368 3.179 -0.524
320 HG3 ARG 40 HG1 ARG 40 -2.905 4.835 -0.943
321 HD2 ARG 40 HD2 ARG 40 -2.856 4.243 -3.305
322 HD3 ARG 40 HD1 ARG 40 -3.227 2.578 -2.895
323 HE ARG 40 HE ARG 40 -5.281 4.081 -1.866
324 HH11 ARG 40 HH11 ARG 40 -3.827 3.758 -5.063
325 HH12 ARG 40 HH12 ARG 40 -5.300 3.755 -5.913
326 HH21 ARG 40 HH21 ARG 40 -7.333 4.134 -3.042
327 HH22 ARG 40 HH22 ARG 40 -7.353 3.983 -4.738
328 H GLU 41 H GLU 41 1.238 4.605 -0.153
329 HA GLU 41 HA GLU 41 0.293 7.170 0.782
330 HB2 GLU 41 HB2 GLU 41 2.674 5.541 1.658
331 HB3 GLU 41 HB1 GLU 41 1.998 6.926 2.504
332 HG2 GLU 41 HG2 GLU 41 -0.079 5.679 2.860
333 HG3 GLU 41 HG1 GLU 41 0.629 4.289 2.038
334 H GLN 42 H GLN 42 2.733 5.967 -1.305
335 HA GLN 42 HA GLN 42 4.350 8.372 -1.174
336 HB2 GLN 42 HB2 GLN 42 5.279 6.044 -1.484
337 HB3 GLN 42 HB1 GLN 42 4.562 6.043 -3.083
338 HG2 GLN 42 HG2 GLN 42 5.990 7.876 -3.756
339 HG3 GLN 42 HG1 GLN 42 6.673 7.967 -2.132
340 HE21 GLN 42 1HE2 GLN 42 8.033 7.472 -4.622
341 HE22 GLN 42 2HE2 GLN 42 8.797 5.926 -4.466
342 H GLY 43 H GLY 43 1.663 7.222 -2.882
343 HA2 GLY 43 HA2 GLY 43 0.301 8.194 -4.439
344 HA3 GLY 43 HA1 GLY 43 1.212 9.677 -4.180
345 H ARG 44 H ARG 44 1.596 6.510 -5.725
346 HA ARG 44 HA ARG 44 3.411 7.686 -7.620
347 HB2 ARG 44 HB2 ARG 44 2.329 4.876 -7.470
348 HB3 ARG 44 HB1 ARG 44 3.598 5.427 -8.549
349 HG2 ARG 44 HG2 ARG 44 3.745 5.425 -5.540
350 HG3 ARG 44 HG1 ARG 44 4.474 4.224 -6.602
351 HD2 ARG 44 HD2 ARG 44 6.158 5.772 -5.914
352 HD3 ARG 44 HD1 ARG 44 5.803 6.033 -7.631
353 HE ARG 44 HE ARG 44 4.355 7.762 -5.855
354 HH11 ARG 44 HH11 ARG 44 7.415 7.394 -7.571
355 HH12 ARG 44 HH12 ARG 44 7.718 9.060 -7.677
356 HH21 ARG 44 HH21 ARG 44 4.753 10.050 -6.019
357 HH22 ARG 44 HH22 ARG 44 6.173 10.597 -6.765
358 H GLY 45 H GLY 45 0.083 6.740 -7.493
359 HA2 GLY 45 HA2 GLY 45 -0.166 7.858 -10.195
360 HA3 GLY 45 HA1 GLY 45 -1.067 6.425 -9.701
361 H GLU 46 H GLU 46 -3.074 7.315 -9.887
362 HA GLU 46 HA GLU 46 -3.671 9.646 -8.274
363 HB2 GLU 46 HB2 GLU 46 -5.459 7.917 -9.999
364 HB3 GLU 46 HB1 GLU 46 -5.951 9.402 -9.196
365 HG2 GLU 46 HG2 GLU 46 -4.397 10.677 -10.546
366 HG3 GLU 46 HG1 GLU 46 -3.825 9.192 -11.306
367 H ASP 47 H ASP 47 -2.915 8.444 -6.456
368 HA ASP 47 HA ASP 47 -4.483 6.215 -5.565
369 HB2 ASP 47 HB2 ASP 47 -2.094 7.610 -4.350
370 HB3 ASP 47 HB1 ASP 47 -2.911 6.261 -3.575
371 H VAL 48 H VAL 48 -3.817 9.488 -4.382
372 HA VAL 48 HA VAL 48 -6.228 9.172 -2.735
373 HB VAL 48 HB VAL 48 -5.532 11.238 -1.535
374 HG11 VAL 48 HG11 VAL 48 -3.510 9.010 -1.586
375 HG12 VAL 48 HG12 VAL 48 -4.972 9.085 -0.601
376 HG13 VAL 48 3HG1 VAL 48 -3.655 10.220 -0.314
377 HG21 VAL 48 HG21 VAL 48 -3.030 10.964 -3.181
378 HG22 VAL 48 HG22 VAL 48 -3.233 12.064 -1.819
379 HG23 VAL 48 HG23 VAL 48 -4.199 12.279 -3.283
380 H ASP 49 H ASP 49 -5.285 10.410 -5.610
381 HA ASP 49 HA ASP 49 -6.957 12.759 -5.618
382 HB2 ASP 49 HB2 ASP 49 -5.454 11.390 -7.860
383 HB3 ASP 49 HB1 ASP 49 -6.415 12.846 -8.066
Start of MODEL 5
1 H PCA 1 H PGL 1 -14.974 1.976 6.327
2 HA PCA 1 HA PGL 1 -13.043 3.272 5.407
3 HB2 PCA 1 HB1 PGL 1 -11.066 2.705 6.385
4 HB3 PCA 1 HB2 PGL 1 -11.106 1.151 5.505
5 HG2 PCA 1 HG1 PGL 1 -11.713 1.676 8.327
6 HG3 PCA 1 HG2 PGL 1 -11.551 0.102 7.475
7 H ARG 2 H ARG 2 -13.690 3.266 3.407
8 HA ARG 2 HA ARG 2 -13.424 0.780 1.837
9 HB2 ARG 2 HB2 ARG 2 -15.760 1.439 1.967
10 HB3 ARG 2 HB1 ARG 2 -15.366 3.071 1.464
11 HG2 ARG 2 HG2 ARG 2 -16.392 1.848 -0.354
12 HG3 ARG 2 HG1 ARG 2 -14.722 2.233 -0.751
13 HD2 ARG 2 HD2 ARG 2 -14.069 -0.069 -0.151
14 HD3 ARG 2 HD1 ARG 2 -15.753 -0.438 0.224
15 HE ARG 2 HE ARG 2 -15.520 0.599 -2.391
16 HH11 ARG 2 HH11 ARG 2 -14.902 -2.420 -0.628
17 HH12 ARG 2 HH12 ARG 2 -15.147 -3.401 -1.999
18 HH21 ARG 2 HH21 ARG 2 -15.824 -0.739 -4.210
19 HH22 ARG 2 HH22 ARG 2 -15.672 -2.448 -4.078
20 H GLY 3 H GLY 3 -13.124 4.311 1.732
21 HA2 GLY 3 HA2 GLY 3 -11.750 4.298 -0.787
22 HA3 GLY 3 HA1 GLY 3 -11.943 5.679 0.287
23 H SER 4 H SER 4 -10.919 4.018 2.490
24 HA SER 4 HA SER 4 -8.248 4.787 2.512
25 HB2 SER 4 HB2 SER 4 -9.555 2.583 4.104
26 HB3 SER 4 HB1 SER 4 -8.182 3.591 4.575
27 HG SER 4 HG SER 4 -9.458 5.228 4.975
28 HA PRO 5 HA PRO 5 -6.660 1.597 -0.220
29 HB2 PRO 5 HB2 PRO 5 -4.020 1.774 0.538
30 HB3 PRO 5 HB1 PRO 5 -4.809 2.846 -0.622
31 HG2 PRO 5 HG2 PRO 5 -4.252 3.279 2.280
32 HG3 PRO 5 HG1 PRO 5 -4.098 4.417 0.931
33 HD2 PRO 5 HD2 PRO 5 -6.189 4.487 2.604
34 HD3 PRO 5 HD1 PRO 5 -6.378 4.848 0.873
35 H ARG 6 H ARG 6 -6.150 1.535 3.234
36 HA ARG 6 HA ARG 6 -5.021 -1.063 3.320
37 HB2 ARG 6 HB2 ARG 6 -4.761 0.512 5.191
38 HB3 ARG 6 HB1 ARG 6 -6.488 0.426 5.500
39 HG2 ARG 6 HG2 ARG 6 -6.311 -1.848 6.229
40 HG3 ARG 6 HG1 ARG 6 -4.628 -1.937 5.703
41 HD2 ARG 6 HD2 ARG 6 -5.677 -0.099 7.857
42 HD3 ARG 6 HD1 ARG 6 -4.845 -1.626 8.152
43 HE ARG 6 HE ARG 6 -3.035 -0.450 6.694
44 HH11 ARG 6 HH11 ARG 6 -4.928 0.962 9.321
45 HH12 ARG 6 HH12 ARG 6 -3.789 2.149 9.727
46 HH21 ARG 6 HH21 ARG 6 -1.439 1.180 7.231
47 HH22 ARG 6 HH22 ARG 6 -1.708 2.276 8.474
48 H ALA 7 H ALA 7 -8.241 0.041 2.860
49 HA ALA 7 HA ALA 7 -9.645 -2.253 3.730
50 HB1 ALA 7 HB1 ALA 7 -10.295 -0.325 1.494
51 HB2 ALA 7 HB2 ALA 7 -10.796 -0.159 3.178
52 HB3 ALA 7 HB3 ALA 7 -11.418 -1.487 2.196
53 H GLU 8 H GLU 8 -8.276 -1.260 0.670
54 HA GLU 8 HA GLU 8 -8.874 -3.538 -0.856
55 HB2 GLU 8 HB2 GLU 8 -6.550 -1.637 -1.102
56 HB3 GLU 8 HB1 GLU 8 -7.126 -2.728 -2.351
57 HG2 GLU 8 HG2 GLU 8 -9.215 -1.515 -2.479
58 HG3 GLU 8 HG1 GLU 8 -8.691 -0.449 -1.173
59 H TYR 9 H TYR 9 -6.144 -2.612 1.130
60 HA TYR 9 HA TYR 9 -4.377 -4.708 0.666
61 HB2 TYR 9 HB2 TYR 9 -3.716 -2.782 1.998
62 HB3 TYR 9 HB1 TYR 9 -4.908 -3.186 3.224
63 HD1 TYR 9 HD1 TYR 9 -4.371 -4.634 5.002
64 HD2 TYR 9 HD2 TYR 9 -1.768 -4.357 1.658
65 HE1 TYR 9 HE1 TYR 9 -2.713 -5.996 6.201
66 HE2 TYR 9 HE2 TYR 9 -0.105 -5.724 2.838
67 HH TYR 9 HH TYR 9 0.497 -6.302 5.186
68 H GLU 10 H GLU 10 -6.976 -4.493 3.055
69 HA GLU 10 HA GLU 10 -6.466 -7.091 4.047
70 HB2 GLU 10 HB2 GLU 10 -8.886 -5.346 4.430
71 HB3 GLU 10 HB1 GLU 10 -8.492 -6.781 5.374
72 HG2 GLU 10 HG2 GLU 10 -6.377 -5.682 6.065
73 HG3 GLU 10 HG1 GLU 10 -6.909 -4.230 5.227
74 H VAL 11 H VAL 11 -8.684 -5.806 1.633
75 HA VAL 11 HA VAL 11 -10.089 -8.241 1.280
76 HB VAL 11 HB VAL 11 -9.662 -5.984 -0.728
77 HG11 VAL 11 HG11 VAL 11 -11.596 -6.904 -1.923
78 HG12 VAL 11 HG12 VAL 11 -11.664 -8.250 -0.785
79 HG13 VAL 11 3HG1 VAL 11 -10.277 -8.073 -1.861
80 HG21 VAL 11 HG21 VAL 11 -11.983 -6.602 1.099
81 HG22 VAL 11 HG22 VAL 11 -11.944 -5.320 -0.108
82 HG23 VAL 11 HG23 VAL 11 -10.846 -5.265 1.272
83 H CYS 12 H CYS 12 -7.180 -6.914 -0.179
84 HA CYS 12 HA CYS 12 -6.512 -8.861 -2.021
85 HB2 CYS 12 HB2 CYS 12 -5.192 -6.840 -1.810
86 HB3 CYS 12 HB1 CYS 12 -4.755 -7.241 -0.158
87 H ARG 13 H ARG 13 -5.949 -8.819 1.470
88 HA ARG 13 HA ARG 13 -4.574 -11.296 1.622
89 HB2 ARG 13 HB2 ARG 13 -6.300 -10.038 3.771
90 HB3 ARG 13 HB1 ARG 13 -5.051 -11.246 4.010
91 HG2 ARG 13 HG2 ARG 13 -3.366 -9.590 3.271
92 HG3 ARG 13 HG1 ARG 13 -4.652 -8.388 3.149
93 HD2 ARG 13 HD2 ARG 13 -3.575 -8.099 5.268
94 HD3 ARG 13 HD1 ARG 13 -5.166 -8.804 5.559
95 HE ARG 13 HE ARG 13 -2.769 -10.502 5.414
96 HH11 ARG 13 HH11 ARG 13 -5.504 -9.311 7.349
97 HH12 ARG 13 HH12 ARG 13 -5.246 -10.423 8.599
98 HH21 ARG 13 HH21 ARG 13 -2.444 -11.975 7.089
99 HH22 ARG 13 HH22 ARG 13 -3.453 -12.000 8.470
100 H LEU 14 H LEU 14 -7.963 -10.405 2.207
101 HA LEU 14 HA LEU 14 -8.990 -12.916 2.793
102 HB2 LEU 14 HB2 LEU 14 -10.348 -10.637 1.365
103 HB3 LEU 14 HB1 LEU 14 -11.174 -12.025 2.034
104 HG LEU 14 HG LEU 14 -9.631 -9.976 3.629
105 HD11 LEU 14 HD11 LEU 14 -12.597 -10.417 3.334
106 HD12 LEU 14 HD12 LEU 14 -11.678 -9.057 2.691
107 HD13 LEU 14 HD13 LEU 14 -11.829 -9.273 4.433
108 HD21 LEU 14 HD21 LEU 14 -9.588 -12.178 4.684
109 HD22 LEU 14 HD22 LEU 14 -11.339 -12.302 4.520
110 HD23 LEU 14 HD23 LEU 14 -10.638 -11.080 5.578
111 H ARG 15 H ARG 15 -8.542 -11.417 -0.358
112 HA ARG 15 HA ARG 15 -9.794 -13.430 -1.878
113 HB2 ARG 15 HB2 ARG 15 -7.583 -11.522 -2.651
114 HB3 ARG 15 HB1 ARG 15 -8.416 -12.565 -3.792
115 HG2 ARG 15 HG2 ARG 15 -10.521 -11.440 -3.296
116 HG3 ARG 15 HG1 ARG 15 -9.702 -10.420 -2.116
117 HD2 ARG 15 HD2 ARG 15 -8.298 -9.495 -3.885
118 HD3 ARG 15 HD1 ARG 15 -9.107 -10.516 -5.075
119 HE ARG 15 HE ARG 15 -11.077 -9.109 -3.791
120 HH11 ARG 15 HH11 ARG 15 -8.301 -8.317 -5.819
121 HH12 ARG 15 HH12 ARG 15 -8.980 -6.883 -6.444
122 HH21 ARG 15 HH21 ARG 15 -12.014 -7.096 -4.625
123 HH22 ARG 15 HH22 ARG 15 -11.130 -6.153 -5.720
124 H CYS 16 H CYS 16 -6.375 -12.968 -1.082
125 HA CYS 16 HA CYS 16 -5.698 -15.383 -2.388
126 HB2 CYS 16 HB2 CYS 16 -4.124 -13.418 -0.812
127 HB3 CYS 16 HB1 CYS 16 -3.402 -14.948 -1.288
128 H GLN 17 H GLN 17 -6.531 -14.707 0.933
129 HA GLN 17 HA GLN 17 -5.391 -17.123 1.918
130 HB2 GLN 17 HB2 GLN 17 -7.620 -15.436 3.079
131 HB3 GLN 17 HB1 GLN 17 -6.866 -16.787 3.908
132 HG2 GLN 17 HG2 GLN 17 -4.720 -15.608 3.875
133 HG3 GLN 17 HG1 GLN 17 -5.482 -14.257 3.037
134 HE21 GLN 17 1HE2 GLN 17 -5.158 -15.935 6.042
135 HE22 GLN 17 2HE2 GLN 17 -5.882 -14.710 7.032
136 H VAL 18 H VAL 18 -8.328 -16.379 0.288
137 HA VAL 18 HA VAL 18 -9.507 -18.947 0.954
138 HB VAL 18 HB VAL 18 -10.518 -16.745 -0.878
139 HG11 VAL 18 HG11 VAL 18 -12.667 -17.923 -0.839
140 HG12 VAL 18 HG12 VAL 18 -11.937 -19.227 0.095
141 HG13 VAL 18 3HG1 VAL 18 -11.403 -18.922 -1.557
142 HG21 VAL 18 HG21 VAL 18 -10.473 -16.074 1.448
143 HG22 VAL 18 HG22 VAL 18 -11.322 -17.547 1.909
144 HG23 VAL 18 HG23 VAL 18 -12.138 -16.333 0.924
145 H ALA 19 H ALA 19 -8.298 -17.278 -1.950
146 HA ALA 19 HA ALA 19 -8.761 -19.469 -3.685
147 HB1 ALA 19 HB1 ALA 19 -7.464 -18.227 -5.308
148 HB2 ALA 19 HB2 ALA 19 -6.840 -17.182 -4.032
149 HB3 ALA 19 HB3 ALA 19 -8.554 -17.143 -4.439
150 H GLU 20 H GLU 20 -5.833 -18.259 -2.116
151 HA GLU 20 HA GLU 20 -4.418 -20.638 -3.005
152 HB2 GLU 20 HB2 GLU 20 -3.420 -18.127 -1.649
153 HB3 GLU 20 HB1 GLU 20 -2.410 -19.445 -2.219
154 HG2 GLU 20 HG2 GLU 20 -4.103 -17.626 -3.915
155 HG3 GLU 20 HG1 GLU 20 -2.349 -17.577 -3.762
156 H ARG 21 H ARG 21 -3.822 -22.155 -1.556
157 HA ARG 21 HA ARG 21 -4.591 -21.608 1.203
158 HB2 ARG 21 HB2 ARG 21 -4.613 -24.247 -0.256
159 HB3 ARG 21 HB1 ARG 21 -4.910 -24.061 1.467
160 HG2 ARG 21 HG2 ARG 21 -6.571 -22.885 -0.755
161 HG3 ARG 21 HG1 ARG 21 -7.004 -24.271 0.246
162 HD2 ARG 21 HD2 ARG 21 -6.615 -21.420 1.186
163 HD3 ARG 21 HD1 ARG 21 -8.139 -22.281 1.028
164 HE ARG 21 HE ARG 21 -6.723 -23.859 2.687
165 HH11 ARG 21 HH11 ARG 21 -7.477 -20.388 2.815
166 HH12 ARG 21 HH12 ARG 21 -7.553 -20.346 4.505
167 HH21 ARG 21 HH21 ARG 21 -6.797 -23.770 5.011
168 HH22 ARG 21 HH22 ARG 21 -7.184 -22.311 5.783
169 H GLY 22 H GLY 22 -2.074 -21.713 -0.621
170 HA2 GLY 22 HA2 GLY 22 -0.382 -22.925 1.429
171 HA3 GLY 22 HA1 GLY 22 0.143 -22.554 -0.215
172 H VAL 23 H VAL 23 1.057 -21.673 2.528
173 HA VAL 23 HA VAL 23 0.262 -18.965 2.795
174 HB VAL 23 HB VAL 23 2.651 -20.304 4.096
175 HG11 VAL 23 HG11 VAL 23 2.403 -18.564 5.815
176 HG12 VAL 23 HG12 VAL 23 1.089 -17.845 4.890
177 HG13 VAL 23 3HG1 VAL 23 2.717 -17.856 4.231
178 HG21 VAL 23 HG21 VAL 23 1.173 -20.692 6.016
179 HG22 VAL 23 HG22 VAL 23 0.595 -21.536 4.579
180 HG23 VAL 23 HG23 VAL 23 -0.186 -20.044 5.098
181 H GLU 24 H GLU 24 2.867 -20.553 1.110
182 HA GLU 24 HA GLU 24 4.714 -18.549 0.786
183 HB2 GLU 24 HB2 GLU 24 4.673 -21.033 0.022
184 HB3 GLU 24 HB1 GLU 24 3.874 -20.429 -1.414
185 HG2 GLU 24 HG2 GLU 24 6.590 -19.632 -0.457
186 HG3 GLU 24 HG1 GLU 24 6.260 -20.820 -1.716
187 H GLN 25 H GLN 25 1.925 -19.289 -1.296
188 HA GLN 25 HA GLN 25 2.329 -16.985 -2.915
189 HB2 GLN 25 HB2 GLN 25 0.042 -18.908 -2.727
190 HB3 GLN 25 HB1 GLN 25 0.052 -17.545 -3.835
191 HG2 GLN 25 HG2 GLN 25 2.139 -19.708 -3.787
192 HG3 GLN 25 HG1 GLN 25 0.759 -19.671 -4.888
193 HE21 GLN 25 1HE2 GLN 25 3.890 -18.295 -4.132
194 HE22 GLN 25 2HE2 GLN 25 4.009 -17.374 -5.571
195 H GLN 26 H GLN 26 0.210 -17.690 -0.200
196 HA GLN 26 HA GLN 26 -1.344 -15.307 -0.322
197 HB2 GLN 26 HB2 GLN 26 -0.485 -16.829 2.153
198 HB3 GLN 26 HB1 GLN 26 -1.808 -15.683 2.057
199 HG2 GLN 26 HG2 GLN 26 -3.042 -17.188 0.615
200 HG3 GLN 26 HG1 GLN 26 -1.685 -18.315 0.596
201 HE21 GLN 26 1HE2 GLN 26 -4.381 -18.857 1.481
202 HE22 GLN 26 2HE2 GLN 26 -4.257 -19.279 3.152
203 H ARG 27 H ARG 27 1.765 -16.060 1.114
204 HA ARG 27 HA ARG 27 2.168 -13.630 2.460
205 HB2 ARG 27 HB2 ARG 27 3.446 -15.801 2.780
206 HB3 ARG 27 HB1 ARG 27 4.315 -15.413 1.305
207 HG2 ARG 27 HG2 ARG 27 5.668 -14.769 3.136
208 HG3 ARG 27 HG1 ARG 27 5.049 -13.286 2.400
209 HD2 ARG 27 HD2 ARG 27 4.864 -13.064 4.784
210 HD3 ARG 27 HD1 ARG 27 3.246 -13.291 4.122
211 HE ARG 27 HE ARG 27 4.440 -15.740 4.894
212 HH11 ARG 27 HH11 ARG 27 2.717 -12.943 6.202
213 HH12 ARG 27 HH12 ARG 27 2.087 -13.784 7.540
214 HH21 ARG 27 HH21 ARG 27 3.623 -16.874 6.721
215 HH22 ARG 27 HH22 ARG 27 2.622 -16.060 7.851
216 H LYS 28 H LYS 28 3.145 -14.764 -0.778
217 HA LYS 28 HA LYS 28 4.356 -12.349 -1.532
218 HB2 LYS 28 HB2 LYS 28 3.284 -14.650 -3.122
219 HB3 LYS 28 HB1 LYS 28 3.774 -13.179 -3.948
220 HG2 LYS 28 HG2 LYS 28 6.021 -13.386 -3.000
221 HG3 LYS 28 HG1 LYS 28 5.524 -14.854 -2.157
222 HD2 LYS 28 HD2 LYS 28 5.230 -16.034 -4.189
223 HD3 LYS 28 HD1 LYS 28 5.347 -14.558 -5.144
224 HE2 LYS 28 HE2 LYS 28 7.398 -15.939 -5.257
225 HE3 LYS 28 HE1 LYS 28 7.690 -14.335 -4.600
226 HZ1 LYS 28 HZ1 LYS 28 7.811 -15.249 -2.418
227 HZ2 LYS 28 HZ2 LYS 28 8.834 -16.159 -3.385
228 HZ3 LYS 28 HZ3 LYS 28 7.320 -16.763 -2.927
229 H CYS 29 H CYS 29 1.016 -13.416 -1.860
230 HA CYS 29 HA CYS 29 -0.035 -11.239 -3.219
231 HB2 CYS 29 HB2 CYS 29 -1.162 -12.974 -1.049
232 HB3 CYS 29 HB1 CYS 29 -2.142 -11.735 -1.792
233 H GLU 30 H GLU 30 0.347 -11.647 0.311
234 HA GLU 30 HA GLU 30 -0.565 -9.087 0.998
235 HB2 GLU 30 HB2 GLU 30 1.393 -10.832 2.484
236 HB3 GLU 30 HB1 GLU 30 0.569 -9.432 3.148
237 HG2 GLU 30 HG2 GLU 30 -1.585 -10.586 2.778
238 HG3 GLU 30 HG1 GLU 30 -0.686 -12.007 2.247
239 H GLN 31 H GLN 31 2.624 -10.336 0.277
240 HA GLN 31 HA GLN 31 4.228 -8.171 0.905
241 HB2 GLN 31 HB2 GLN 31 5.082 -10.379 0.274
242 HB3 GLN 31 HB1 GLN 31 4.495 -10.144 -1.360
243 HG2 GLN 31 HG2 GLN 31 6.063 -8.279 -1.638
244 HG3 GLN 31 HG1 GLN 31 6.673 -8.582 -0.010
245 HE21 GLN 31 1HE2 GLN 31 7.930 -10.414 0.370
246 HE22 GLN 31 2HE2 GLN 31 8.627 -11.303 -0.933
247 H VAL 32 H VAL 32 2.841 -8.940 -2.300
248 HA VAL 32 HA VAL 32 3.720 -6.625 -3.611
249 HB VAL 32 HB VAL 32 1.264 -8.303 -4.245
250 HG11 VAL 32 HG11 VAL 32 1.166 -6.139 -5.375
251 HG12 VAL 32 HG12 VAL 32 1.473 -7.433 -6.534
252 HG13 VAL 32 3HG1 VAL 32 2.792 -6.385 -6.011
253 HG21 VAL 32 HG21 VAL 32 3.311 -9.625 -4.220
254 HG22 VAL 32 HG22 VAL 32 4.082 -8.473 -5.311
255 HG23 VAL 32 HG23 VAL 32 2.714 -9.436 -5.869
256 H CYS 33 H CYS 33 0.602 -7.303 -2.061
257 HA CYS 33 HA CYS 33 -0.461 -4.771 -2.615
258 HB2 CYS 33 HB2 CYS 33 -1.255 -6.822 -0.543
259 HB3 CYS 33 HB1 CYS 33 -2.174 -5.352 -0.860
260 H GLU 34 H GLU 34 1.409 -5.937 0.169
261 HA GLU 34 HA GLU 34 0.948 -3.627 1.731
262 HB2 GLU 34 HB2 GLU 34 1.780 -5.935 2.552
263 HB3 GLU 34 HB1 GLU 34 3.342 -5.436 1.956
264 HG2 GLU 34 HG2 GLU 34 3.518 -3.682 3.484
265 HG3 GLU 34 HG1 GLU 34 1.820 -3.803 3.952
266 H GLU 35 H GLU 35 3.264 -4.435 -0.739
267 HA GLU 35 HA GLU 35 5.009 -2.253 -0.355
268 HB2 GLU 35 HB2 GLU 35 4.307 -3.847 -2.807
269 HB3 GLU 35 HB1 GLU 35 5.522 -2.580 -2.805
270 HG2 GLU 35 HG2 GLU 35 5.579 -5.036 -1.080
271 HG3 GLU 35 HG1 GLU 35 6.478 -4.826 -2.581
272 H ARG 36 H ARG 36 2.016 -2.607 -2.148
273 HA ARG 36 HA ARG 36 2.046 -0.035 -3.388
274 HB2 ARG 36 HB2 ARG 36 0.553 -2.128 -3.894
275 HB3 ARG 36 HB1 ARG 36 -0.481 -1.486 -2.628
276 HG2 ARG 36 HG2 ARG 36 -0.400 0.703 -3.990
277 HG3 ARG 36 HG1 ARG 36 0.144 -0.330 -5.313
278 HD2 ARG 36 HD2 ARG 36 -2.199 -0.183 -5.550
279 HD3 ARG 36 HD1 ARG 36 -1.914 -1.760 -4.802
280 HE ARG 36 HE ARG 36 -2.209 -0.011 -2.733
281 HH11 ARG 36 HH11 ARG 36 -4.345 -1.248 -5.280
282 HH12 ARG 36 HH12 ARG 36 -5.771 -0.724 -4.491
283 HH21 ARG 36 HH21 ARG 36 -4.121 0.695 -1.728
284 HH22 ARG 36 HH22 ARG 36 -5.652 0.444 -2.470
285 H LEU 37 H LEU 37 0.850 -1.337 -0.375
286 HA LEU 37 HA LEU 37 -0.442 0.998 0.562
287 HB2 LEU 37 HB2 LEU 37 0.382 -1.597 1.736
288 HB3 LEU 37 HB1 LEU 37 0.007 -0.295 2.839
289 HG LEU 37 HG LEU 37 -1.873 -1.853 2.447
290 HD11 LEU 37 HD11 LEU 37 -2.276 0.982 1.557
291 HD12 LEU 37 HD12 LEU 37 -2.323 0.349 3.209
292 HD13 LEU 37 HD13 LEU 37 -3.560 -0.125 2.044
293 HD21 LEU 37 HD21 LEU 37 -1.569 -2.399 0.102
294 HD22 LEU 37 HD22 LEU 37 -1.840 -0.723 -0.350
295 HD23 LEU 37 HD23 LEU 37 -3.163 -1.670 0.328
296 H ARG 38 H ARG 38 2.776 -0.265 0.828
297 HA ARG 38 HA ARG 38 3.919 1.280 2.819
298 HB2 ARG 38 HB2 ARG 38 5.010 -0.609 1.669
299 HB3 ARG 38 HB1 ARG 38 5.128 0.355 0.216
300 HG2 ARG 38 HG2 ARG 38 7.257 0.369 1.158
301 HG3 ARG 38 HG1 ARG 38 6.573 1.945 1.550
302 HD2 ARG 38 HD2 ARG 38 6.677 -0.432 3.406
303 HD3 ARG 38 HD1 ARG 38 7.824 0.896 3.422
304 HE ARG 38 HE ARG 38 5.011 0.983 4.239
305 HH11 ARG 38 HH11 ARG 38 8.172 2.566 4.083
306 HH12 ARG 38 HH12 ARG 38 7.852 3.647 5.356
307 HH21 ARG 38 HH21 ARG 38 4.561 2.486 5.966
308 HH22 ARG 38 HH22 ARG 38 5.737 3.638 6.424
309 H GLU 39 H GLU 39 3.484 1.969 -0.594
310 HA GLU 39 HA GLU 39 4.842 4.397 -0.790
311 HB2 GLU 39 HB2 GLU 39 2.398 3.494 -2.333
312 HB3 GLU 39 HB1 GLU 39 3.498 4.776 -2.817
313 HG2 GLU 39 HG2 GLU 39 5.310 3.160 -3.032
314 HG3 GLU 39 HG1 GLU 39 4.234 1.876 -2.495
315 H ARG 40 H ARG 40 1.643 3.673 0.372
316 HA ARG 40 HA ARG 40 0.913 6.489 0.451
317 HB2 ARG 40 HB2 ARG 40 -0.680 4.027 1.155
318 HB3 ARG 40 HB1 ARG 40 -1.291 5.674 1.233
319 HG2 ARG 40 HG2 ARG 40 -0.330 4.274 -1.250
320 HG3 ARG 40 HG1 ARG 40 -2.012 4.564 -0.798
321 HD2 ARG 40 HD2 ARG 40 -1.591 6.987 -0.853
322 HD3 ARG 40 HD1 ARG 40 0.072 6.677 -1.334
323 HE ARG 40 HE ARG 40 -1.452 5.376 -3.172
324 HH11 ARG 40 HH11 ARG 40 -1.158 8.733 -2.086
325 HH12 ARG 40 HH12 ARG 40 -1.563 9.388 -3.608
326 HH21 ARG 40 HH21 ARG 40 -2.011 6.288 -5.216
327 HH22 ARG 40 HH22 ARG 40 -2.053 7.986 -5.403
328 H GLU 41 H GLU 41 1.970 4.021 2.605
329 HA GLU 41 HA GLU 41 1.224 5.495 4.942
330 HB2 GLU 41 HB2 GLU 41 2.978 3.094 4.562
331 HB3 GLU 41 HB1 GLU 41 2.691 3.830 6.133
332 HG2 GLU 41 HG2 GLU 41 0.551 2.746 4.324
333 HG3 GLU 41 HG1 GLU 41 1.251 1.882 5.689
334 H GLN 42 H GLN 42 4.228 5.090 3.103
335 HA GLN 42 HA GLN 42 5.542 6.930 4.943
336 HB2 GLN 42 HB2 GLN 42 7.561 6.638 3.630
337 HB3 GLN 42 HB1 GLN 42 6.868 5.067 3.991
338 HG2 GLN 42 HG2 GLN 42 6.008 4.881 1.748
339 HG3 GLN 42 HG1 GLN 42 6.538 6.520 1.377
340 HE21 GLN 42 1HE2 GLN 42 7.818 5.837 -0.291
341 HE22 GLN 42 2HE2 GLN 42 9.311 5.004 -0.050
342 H GLY 43 H GLY 43 3.595 7.091 2.293
343 HA2 GLY 43 HA2 GLY 43 4.725 9.555 1.276
344 HA3 GLY 43 HA1 GLY 43 3.432 8.608 0.545
345 H ARG 44 H ARG 44 4.059 11.378 1.987
346 HA ARG 44 HA ARG 44 1.501 11.586 3.404
347 HB2 ARG 44 HB2 ARG 44 3.900 13.425 3.273
348 HB3 ARG 44 HB1 ARG 44 2.432 13.789 4.168
349 HG2 ARG 44 HG2 ARG 44 2.775 11.860 5.574
350 HG3 ARG 44 HG1 ARG 44 4.204 11.408 4.648
351 HD2 ARG 44 HD2 ARG 44 5.308 13.469 5.349
352 HD3 ARG 44 HD1 ARG 44 3.870 13.939 6.261
353 HE ARG 44 HE ARG 44 4.325 11.624 7.359
354 HH11 ARG 44 HH11 ARG 44 6.702 14.134 6.589
355 HH12 ARG 44 HH12 ARG 44 7.802 13.662 7.801
356 HH21 ARG 44 HH21 ARG 44 5.817 11.010 9.044
357 HH22 ARG 44 HH22 ARG 44 7.302 11.826 9.211
358 H GLY 45 H GLY 45 2.042 11.460 0.443
359 HA2 GLY 45 HA2 GLY 45 1.084 12.345 -1.423
360 HA3 GLY 45 HA1 GLY 45 0.245 13.506 -0.389
361 H GLU 46 H GLU 46 0.920 15.465 -0.340
362 HA GLU 46 HA GLU 46 3.622 16.041 -1.221
363 HB2 GLU 46 HB2 GLU 46 2.051 16.608 -2.993
364 HB3 GLU 46 HB1 GLU 46 1.085 17.527 -1.854
365 HG2 GLU 46 HG2 GLU 46 2.921 19.106 -1.580
366 HG3 GLU 46 HG1 GLU 46 3.877 18.182 -2.739
367 H ASP 47 H ASP 47 4.486 16.411 0.739
368 HA ASP 47 HA ASP 47 3.486 18.677 2.246
369 HB2 ASP 47 HB2 ASP 47 2.448 16.692 3.343
370 HB3 ASP 47 HB1 ASP 47 4.056 16.029 3.605
371 H VAL 48 H VAL 48 5.216 19.732 1.487
372 HA VAL 48 HA VAL 48 7.242 20.666 1.564
373 HB VAL 48 HB VAL 48 7.681 18.986 4.060
374 HG11 VAL 48 HG11 VAL 48 9.362 20.643 4.675
375 HG12 VAL 48 HG12 VAL 48 9.108 21.478 3.147
376 HG13 VAL 48 3HG1 VAL 48 9.786 19.847 3.157
377 HG21 VAL 48 HG21 VAL 48 6.673 21.812 3.755
378 HG22 VAL 48 HG22 VAL 48 7.034 21.009 5.282
379 HG23 VAL 48 HG23 VAL 48 5.724 20.413 4.260
380 H ASP 49 H ASP 49 8.008 19.917 -0.308
381 HA ASP 49 HA ASP 49 9.487 17.398 -0.351
382 HB2 ASP 49 HB2 ASP 49 7.877 17.870 -2.205
383 HB3 ASP 49 HB1 ASP 49 8.844 19.270 -2.640
Start of MODEL 6
1 H PCA 1 H PGL 1 -8.913 8.873 -0.915
2 HA PCA 1 HA PGL 1 -10.123 7.744 1.019
3 HB2 PCA 1 HB1 PGL 1 -11.816 9.007 1.850
4 HB3 PCA 1 HB2 PGL 1 -12.737 8.721 0.347
5 HG2 PCA 1 HG1 PGL 1 -11.357 11.143 1.181
6 HG3 PCA 1 HG2 PGL 1 -12.346 10.863 -0.292
7 H ARG 2 H ARG 2 -11.009 8.408 -2.260
8 HA ARG 2 HA ARG 2 -12.655 6.061 -2.521
9 HB2 ARG 2 HB2 ARG 2 -13.063 8.126 -3.847
10 HB3 ARG 2 HB1 ARG 2 -11.528 7.881 -4.660
11 HG2 ARG 2 HG2 ARG 2 -12.344 5.803 -5.616
12 HG3 ARG 2 HG1 ARG 2 -13.871 6.003 -4.757
13 HD2 ARG 2 HD2 ARG 2 -14.246 8.112 -5.944
14 HD3 ARG 2 HD1 ARG 2 -12.752 7.863 -6.845
15 HE ARG 2 HE ARG 2 -14.134 5.621 -7.345
16 HH11 ARG 2 HH11 ARG 2 -14.911 9.056 -7.628
17 HH12 ARG 2 HH12 ARG 2 -16.064 8.880 -8.858
18 HH21 ARG 2 HH21 ARG 2 -15.721 5.353 -9.118
19 HH22 ARG 2 HH22 ARG 2 -16.535 6.719 -9.719
20 H GLY 3 H GLY 3 -11.886 4.100 -2.817
21 HA2 GLY 3 HA2 GLY 3 -10.436 2.403 -3.450
22 HA3 GLY 3 HA1 GLY 3 -9.373 3.621 -4.174
23 H SER 4 H SER 4 -10.656 2.728 -1.020
24 HA SER 4 HA SER 4 -8.708 4.135 0.410
25 HB2 SER 4 HB2 SER 4 -10.455 1.894 1.416
26 HB3 SER 4 HB1 SER 4 -9.754 3.228 2.332
27 HG SER 4 HG SER 4 -10.967 4.571 0.673
28 HA PRO 5 HA PRO 5 -5.241 1.589 -0.212
29 HB2 PRO 5 HB2 PRO 5 -3.860 2.311 2.085
30 HB3 PRO 5 HB1 PRO 5 -3.862 3.207 0.563
31 HG2 PRO 5 HG2 PRO 5 -5.443 3.662 3.045
32 HG3 PRO 5 HG1 PRO 5 -4.718 4.842 1.938
33 HD2 PRO 5 HD2 PRO 5 -7.330 4.317 1.927
34 HD3 PRO 5 HD1 PRO 5 -6.445 4.680 0.428
35 H ARG 6 H ARG 6 -6.428 1.511 3.169
36 HA ARG 6 HA ARG 6 -5.128 -1.023 3.547
37 HB2 ARG 6 HB2 ARG 6 -5.269 0.572 5.438
38 HB3 ARG 6 HB1 ARG 6 -7.021 0.413 5.430
39 HG2 ARG 6 HG2 ARG 6 -6.792 -1.987 5.916
40 HG3 ARG 6 HG1 ARG 6 -5.045 -1.788 5.987
41 HD2 ARG 6 HD2 ARG 6 -5.316 -0.224 7.853
42 HD3 ARG 6 HD1 ARG 6 -7.064 -0.450 7.776
43 HE ARG 6 HE ARG 6 -5.828 -2.948 7.992
44 HH11 ARG 6 HH11 ARG 6 -6.376 -0.096 9.996
45 HH12 ARG 6 HH12 ARG 6 -6.434 -0.950 11.458
46 HH21 ARG 6 HH21 ARG 6 -5.881 -4.136 9.978
47 HH22 ARG 6 HH22 ARG 6 -6.135 -3.334 11.451
48 H ALA 7 H ALA 7 -8.293 0.152 2.825
49 HA ALA 7 HA ALA 7 -9.760 -2.176 3.387
50 HB1 ALA 7 HB1 ALA 7 -10.806 0.012 2.905
51 HB2 ALA 7 HB2 ALA 7 -11.458 -1.286 1.909
52 HB3 ALA 7 HB3 ALA 7 -10.299 -0.150 1.221
53 H GLU 8 H GLU 8 -8.247 -1.042 0.397
54 HA GLU 8 HA GLU 8 -8.768 -3.343 -1.163
55 HB2 GLU 8 HB2 GLU 8 -6.465 -1.412 -1.340
56 HB3 GLU 8 HB1 GLU 8 -6.936 -2.552 -2.585
57 HG2 GLU 8 HG2 GLU 8 -9.005 -1.373 -2.937
58 HG3 GLU 8 HG1 GLU 8 -8.642 -0.285 -1.591
59 H TYR 9 H TYR 9 -6.109 -2.405 0.934
60 HA TYR 9 HA TYR 9 -4.259 -4.421 0.518
61 HB2 TYR 9 HB2 TYR 9 -3.827 -2.467 1.943
62 HB3 TYR 9 HB1 TYR 9 -5.025 -3.037 3.085
63 HD1 TYR 9 HD1 TYR 9 -4.416 -4.413 4.858
64 HD2 TYR 9 HD2 TYR 9 -1.739 -3.899 1.604
65 HE1 TYR 9 HE1 TYR 9 -2.682 -5.596 6.118
66 HE2 TYR 9 HE2 TYR 9 0.005 -5.068 2.830
67 HH TYR 9 HH TYR 9 0.601 -5.644 5.210
68 H GLU 10 H GLU 10 -6.936 -4.378 2.843
69 HA GLU 10 HA GLU 10 -6.388 -7.015 3.681
70 HB2 GLU 10 HB2 GLU 10 -8.772 -5.271 4.189
71 HB3 GLU 10 HB1 GLU 10 -8.524 -6.843 4.943
72 HG2 GLU 10 HG2 GLU 10 -6.349 -5.980 5.811
73 HG3 GLU 10 HG1 GLU 10 -6.817 -4.391 5.215
74 H VAL 11 H VAL 11 -8.610 -5.684 1.308
75 HA VAL 11 HA VAL 11 -9.928 -8.155 0.862
76 HB VAL 11 HB VAL 11 -9.560 -5.851 -1.111
77 HG11 VAL 11 HG11 VAL 11 -11.489 -8.180 -1.189
78 HG12 VAL 11 HG12 VAL 11 -10.122 -7.933 -2.275
79 HG13 VAL 11 3HG1 VAL 11 -11.489 -6.818 -2.306
80 HG21 VAL 11 HG21 VAL 11 -10.770 -5.181 0.900
81 HG22 VAL 11 HG22 VAL 11 -11.878 -6.537 0.698
82 HG23 VAL 11 HG23 VAL 11 -11.855 -5.234 -0.490
83 H CYS 12 H CYS 12 -7.021 -6.688 -0.469
84 HA CYS 12 HA CYS 12 -6.289 -8.567 -2.354
85 HB2 CYS 12 HB2 CYS 12 -5.005 -6.535 -2.110
86 HB3 CYS 12 HB1 CYS 12 -4.585 -6.936 -0.453
87 H ARG 13 H ARG 13 -5.702 -8.566 1.133
88 HA ARG 13 HA ARG 13 -4.315 -11.038 1.287
89 HB2 ARG 13 HB2 ARG 13 -6.115 -9.818 3.392
90 HB3 ARG 13 HB1 ARG 13 -4.857 -11.009 3.668
91 HG2 ARG 13 HG2 ARG 13 -3.164 -9.350 3.056
92 HG3 ARG 13 HG1 ARG 13 -4.434 -8.178 2.744
93 HD2 ARG 13 HD2 ARG 13 -3.537 -7.737 4.919
94 HD3 ARG 13 HD1 ARG 13 -5.160 -8.380 5.110
95 HE ARG 13 HE ARG 13 -2.765 -10.081 5.443
96 HH11 ARG 13 HH11 ARG 13 -5.938 -9.050 6.658
97 HH12 ARG 13 HH12 ARG 13 -5.749 -9.798 8.169
98 HH21 ARG 13 HH21 ARG 13 -2.521 -11.084 7.460
99 HH22 ARG 13 HH22 ARG 13 -3.734 -10.997 8.651
100 H LEU 14 H LEU 14 -7.714 -10.193 1.853
101 HA LEU 14 HA LEU 14 -8.714 -12.712 2.423
102 HB2 LEU 14 HB2 LEU 14 -10.106 -10.402 1.089
103 HB3 LEU 14 HB1 LEU 14 -10.925 -11.824 1.693
104 HG LEU 14 HG LEU 14 -9.370 -9.865 3.385
105 HD11 LEU 14 HD11 LEU 14 -12.341 -10.262 3.083
106 HD12 LEU 14 HD12 LEU 14 -11.412 -8.882 2.499
107 HD13 LEU 14 HD13 LEU 14 -11.553 -9.180 4.231
108 HD21 LEU 14 HD21 LEU 14 -9.336 -12.100 4.341
109 HD22 LEU 14 HD22 LEU 14 -11.081 -12.232 4.139
110 HD23 LEU 14 HD23 LEU 14 -10.413 -11.057 5.269
111 H ARG 15 H ARG 15 -8.313 -11.223 -0.754
112 HA ARG 15 HA ARG 15 -9.559 -13.182 -2.327
113 HB2 ARG 15 HB2 ARG 15 -7.085 -11.562 -2.917
114 HB3 ARG 15 HB1 ARG 15 -7.914 -12.545 -4.108
115 HG2 ARG 15 HG2 ARG 15 -9.048 -10.152 -2.672
116 HG3 ARG 15 HG1 ARG 15 -8.474 -10.199 -4.341
117 HD2 ARG 15 HD2 ARG 15 -10.186 -11.884 -4.854
118 HD3 ARG 15 HD1 ARG 15 -10.781 -11.756 -3.199
119 HE ARG 15 HE ARG 15 -10.663 -9.264 -4.558
120 HH11 ARG 15 HH11 ARG 15 -12.637 -12.166 -4.079
121 HH12 ARG 15 HH12 ARG 15 -14.105 -11.422 -4.486
122 HH21 ARG 15 HH21 ARG 15 -12.689 -8.225 -5.098
123 HH22 ARG 15 HH22 ARG 15 -14.136 -9.114 -5.068
124 H CYS 16 H CYS 16 -6.205 -12.928 -1.352
125 HA CYS 16 HA CYS 16 -5.450 -15.380 -2.502
126 HB2 CYS 16 HB2 CYS 16 -4.093 -13.623 -0.489
127 HB3 CYS 16 HB1 CYS 16 -3.312 -14.947 -1.349
128 H GLN 17 H GLN 17 -6.382 -14.430 0.759
129 HA GLN 17 HA GLN 17 -5.624 -16.831 2.021
130 HB2 GLN 17 HB2 GLN 17 -7.672 -14.771 2.827
131 HB3 GLN 17 HB1 GLN 17 -7.181 -16.116 3.842
132 HG2 GLN 17 HG2 GLN 17 -4.895 -15.267 3.878
133 HG3 GLN 17 HG1 GLN 17 -5.371 -13.936 2.827
134 HE21 GLN 17 1HE2 GLN 17 -4.259 -13.886 5.492
135 HE22 GLN 17 2HE2 GLN 17 -5.379 -13.015 6.477
136 H VAL 18 H VAL 18 -8.456 -15.959 0.222
137 HA VAL 18 HA VAL 18 -9.751 -18.399 1.090
138 HB VAL 18 HB VAL 18 -10.766 -16.262 -0.815
139 HG11 VAL 18 HG11 VAL 18 -12.213 -18.643 0.356
140 HG12 VAL 18 HG12 VAL 18 -11.744 -18.446 -1.331
141 HG13 VAL 18 3HG1 VAL 18 -12.945 -17.368 -0.619
142 HG21 VAL 18 HG21 VAL 18 -10.597 -15.481 1.486
143 HG22 VAL 18 HG22 VAL 18 -11.499 -16.888 2.046
144 HG23 VAL 18 HG23 VAL 18 -12.289 -15.683 1.030
145 H ALA 19 H ALA 19 -8.457 -17.016 -1.921
146 HA ALA 19 HA ALA 19 -9.163 -19.268 -3.500
147 HB1 ALA 19 HB1 ALA 19 -7.092 -17.155 -4.072
148 HB2 ALA 19 HB2 ALA 19 -8.810 -17.036 -4.456
149 HB3 ALA 19 HB3 ALA 19 -7.812 -18.262 -5.242
150 H GLU 20 H GLU 20 -6.130 -18.311 -1.940
151 HA GLU 20 HA GLU 20 -4.881 -20.779 -2.872
152 HB2 GLU 20 HB2 GLU 20 -3.749 -18.218 -1.771
153 HB3 GLU 20 HB1 GLU 20 -2.786 -19.665 -2.024
154 HG2 GLU 20 HG2 GLU 20 -4.293 -18.176 -4.156
155 HG3 GLU 20 HG1 GLU 20 -2.554 -18.076 -3.860
156 H ARG 21 H ARG 21 -4.218 -22.305 -1.482
157 HA ARG 21 HA ARG 21 -4.725 -21.774 1.348
158 HB2 ARG 21 HB2 ARG 21 -4.849 -24.214 1.671
159 HB3 ARG 21 HB1 ARG 21 -6.039 -23.648 0.520
160 HG2 ARG 21 HG2 ARG 21 -4.640 -24.456 -1.316
161 HG3 ARG 21 HG1 ARG 21 -3.446 -25.020 -0.142
162 HD2 ARG 21 HD2 ARG 21 -4.854 -26.875 -0.841
163 HD3 ARG 21 HD1 ARG 21 -5.148 -26.495 0.854
164 HE ARG 21 HE ARG 21 -6.904 -25.305 -1.134
165 HH11 ARG 21 HH11 ARG 21 -6.505 -27.763 1.407
166 HH12 ARG 21 HH12 ARG 21 -8.157 -28.114 1.532
167 HH21 ARG 21 HH21 ARG 21 -9.171 -25.820 -0.976
168 HH22 ARG 21 HH22 ARG 21 -9.731 -26.997 0.117
169 H GLY 22 H GLY 22 -2.360 -21.265 -0.477
170 HA2 GLY 22 HA2 GLY 22 -0.334 -22.632 1.132
171 HA3 GLY 22 HA1 GLY 22 -0.043 -21.850 -0.423
172 H VAL 23 H VAL 23 1.018 -21.519 2.383
173 HA VAL 23 HA VAL 23 0.142 -19.023 3.364
174 HB VAL 23 HB VAL 23 2.702 -20.544 3.955
175 HG11 VAL 23 HG11 VAL 23 2.948 -18.183 4.541
176 HG12 VAL 23 HG12 VAL 23 2.834 -19.175 5.995
177 HG13 VAL 23 3HG1 VAL 23 1.439 -18.244 5.449
178 HG21 VAL 23 HG21 VAL 23 1.540 -21.251 5.986
179 HG22 VAL 23 HG22 VAL 23 0.671 -21.774 4.541
180 HG23 VAL 23 HG23 VAL 23 0.099 -20.386 5.463
181 H GLU 24 H GLU 24 2.893 -19.978 1.346
182 HA GLU 24 HA GLU 24 4.065 -17.433 1.364
183 HB2 GLU 24 HB2 GLU 24 4.415 -19.743 -0.502
184 HB3 GLU 24 HB1 GLU 24 5.233 -18.210 -0.763
185 HG2 GLU 24 HG2 GLU 24 5.469 -19.928 1.692
186 HG3 GLU 24 HG1 GLU 24 6.652 -19.805 0.391
187 H GLN 25 H GLN 25 1.656 -18.800 -0.812
188 HA GLN 25 HA GLN 25 1.809 -16.630 -2.620
189 HB2 GLN 25 HB2 GLN 25 -0.593 -18.400 -2.095
190 HB3 GLN 25 HB1 GLN 25 -0.481 -17.228 -3.397
191 HG2 GLN 25 HG2 GLN 25 0.011 -19.197 -4.459
192 HG3 GLN 25 HG1 GLN 25 1.616 -18.569 -4.095
193 HE21 GLN 25 1HE2 GLN 25 -0.710 -20.967 -3.480
194 HE22 GLN 25 2HE2 GLN 25 0.297 -22.032 -2.544
195 H GLN 26 H GLN 26 -0.244 -17.207 0.170
196 HA GLN 26 HA GLN 26 -1.673 -14.756 0.059
197 HB2 GLN 26 HB2 GLN 26 -0.949 -16.518 2.404
198 HB3 GLN 26 HB1 GLN 26 -2.070 -15.170 2.487
199 HG2 GLN 26 HG2 GLN 26 -3.567 -16.290 0.939
200 HG3 GLN 26 HG1 GLN 26 -2.421 -17.622 0.776
201 HE21 GLN 26 1HE2 GLN 26 -4.104 -19.036 1.527
202 HE22 GLN 26 2HE2 GLN 26 -4.448 -19.147 3.202
203 H ARG 27 H ARG 27 1.312 -15.673 1.666
204 HA ARG 27 HA ARG 27 1.787 -13.235 2.926
205 HB2 ARG 27 HB2 ARG 27 2.883 -15.258 3.617
206 HB3 ARG 27 HB1 ARG 27 3.647 -15.424 2.048
207 HG2 ARG 27 HG2 ARG 27 5.062 -13.578 2.456
208 HG3 ARG 27 HG1 ARG 27 4.178 -13.147 3.921
209 HD2 ARG 27 HD2 ARG 27 5.608 -15.750 3.507
210 HD3 ARG 27 HD1 ARG 27 6.317 -14.353 4.322
211 HE ARG 27 HE ARG 27 4.174 -14.621 5.782
212 HH11 ARG 27 HH11 ARG 27 5.980 -17.354 4.424
213 HH12 ARG 27 HH12 ARG 27 5.878 -18.279 5.853
214 HH21 ARG 27 HH21 ARG 27 3.968 -15.974 7.698
215 HH22 ARG 27 HH22 ARG 27 4.729 -17.499 7.719
216 H LYS 28 H LYS 28 2.888 -14.425 -0.257
217 HA LYS 28 HA LYS 28 4.334 -12.094 -0.897
218 HB2 LYS 28 HB2 LYS 28 3.033 -14.133 -2.715
219 HB3 LYS 28 HB1 LYS 28 4.041 -12.815 -3.293
220 HG2 LYS 28 HG2 LYS 28 5.938 -13.696 -2.035
221 HG3 LYS 28 HG1 LYS 28 4.927 -14.997 -1.413
222 HD2 LYS 28 HD2 LYS 28 6.300 -15.800 -3.268
223 HD3 LYS 28 HD1 LYS 28 4.595 -15.823 -3.707
224 HE2 LYS 28 HE2 LYS 28 4.860 -13.783 -4.977
225 HE3 LYS 28 HE1 LYS 28 6.537 -13.633 -4.458
226 HZ1 LYS 28 HZ1 LYS 28 6.366 -14.525 -6.678
227 HZ2 LYS 28 HZ2 LYS 28 5.450 -15.846 -6.132
228 HZ3 LYS 28 HZ3 LYS 28 7.048 -15.649 -5.633
229 H CYS 29 H CYS 29 0.960 -12.950 -1.276
230 HA CYS 29 HA CYS 29 0.086 -10.736 -2.733
231 HB2 CYS 29 HB2 CYS 29 -1.255 -12.385 -0.614
232 HB3 CYS 29 HB1 CYS 29 -2.128 -11.136 -1.465
233 H GLU 30 H GLU 30 0.457 -11.190 0.760
234 HA GLU 30 HA GLU 30 -0.444 -8.640 1.497
235 HB2 GLU 30 HB2 GLU 30 1.497 -10.446 2.958
236 HB3 GLU 30 HB1 GLU 30 0.623 -9.091 3.664
237 HG2 GLU 30 HG2 GLU 30 -1.488 -10.223 3.221
238 HG3 GLU 30 HG1 GLU 30 -0.617 -11.579 2.519
239 H GLN 31 H GLN 31 2.789 -9.917 0.926
240 HA GLN 31 HA GLN 31 4.291 -7.629 1.397
241 HB2 GLN 31 HB2 GLN 31 4.731 -9.888 -0.534
242 HB3 GLN 31 HB1 GLN 31 5.913 -8.617 -0.275
243 HG2 GLN 31 HG2 GLN 31 6.198 -9.251 2.005
244 HG3 GLN 31 HG1 GLN 31 4.846 -10.379 1.907
245 HE21 GLN 31 1HE2 GLN 31 6.183 -12.020 2.571
246 HE22 GLN 31 2HE2 GLN 31 7.307 -12.801 1.515
247 H VAL 32 H VAL 32 3.089 -8.729 -1.791
248 HA VAL 32 HA VAL 32 3.981 -6.512 -3.248
249 HB VAL 32 HB VAL 32 1.635 -8.355 -3.828
250 HG11 VAL 32 HG11 VAL 32 1.781 -7.591 -6.160
251 HG12 VAL 32 HG12 VAL 32 3.017 -6.422 -5.697
252 HG13 VAL 32 3HG1 VAL 32 1.374 -6.257 -5.078
253 HG21 VAL 32 HG21 VAL 32 3.784 -9.489 -3.731
254 HG22 VAL 32 HG22 VAL 32 4.461 -8.328 -4.874
255 HG23 VAL 32 HG23 VAL 32 3.191 -9.433 -5.391
256 H CYS 33 H CYS 33 0.841 -7.054 -1.689
257 HA CYS 33 HA CYS 33 -0.114 -4.548 -2.583
258 HB2 CYS 33 HB2 CYS 33 -1.191 -6.509 -0.571
259 HB3 CYS 33 HB1 CYS 33 -2.013 -4.996 -0.942
260 H GLU 34 H GLU 34 1.638 -5.564 0.259
261 HA GLU 34 HA GLU 34 1.132 -3.193 1.723
262 HB2 GLU 34 HB2 GLU 34 1.940 -5.443 2.665
263 HB3 GLU 34 HB1 GLU 34 3.512 -5.020 2.032
264 HG2 GLU 34 HG2 GLU 34 3.768 -3.229 3.520
265 HG3 GLU 34 HG1 GLU 34 2.059 -3.245 3.956
266 H GLU 35 H GLU 35 3.544 -4.195 -0.638
267 HA GLU 35 HA GLU 35 5.248 -1.962 -0.462
268 HB2 GLU 35 HB2 GLU 35 4.452 -3.490 -2.949
269 HB3 GLU 35 HB1 GLU 35 5.804 -2.381 -2.836
270 HG2 GLU 35 HG2 GLU 35 6.845 -3.888 -1.187
271 HG3 GLU 35 HG1 GLU 35 5.501 -5.009 -1.415
272 H ARG 36 H ARG 36 2.371 -2.579 -2.389
273 HA ARG 36 HA ARG 36 2.155 -0.144 -3.762
274 HB2 ARG 36 HB2 ARG 36 0.771 -2.278 -4.052
275 HB3 ARG 36 HB1 ARG 36 -0.201 -1.696 -2.711
276 HG2 ARG 36 HG2 ARG 36 -0.444 0.451 -4.102
277 HG3 ARG 36 HG1 ARG 36 0.089 -0.549 -5.453
278 HD2 ARG 36 HD2 ARG 36 -2.290 -0.597 -5.448
279 HD3 ARG 36 HD1 ARG 36 -1.746 -2.162 -4.829
280 HE ARG 36 HE ARG 36 -2.026 -0.863 -2.580
281 HH11 ARG 36 HH11 ARG 36 -4.256 -1.100 -5.307
282 HH12 ARG 36 HH12 ARG 36 -5.616 -0.583 -4.422
283 HH21 ARG 36 HH21 ARG 36 -3.889 -0.112 -1.367
284 HH22 ARG 36 HH22 ARG 36 -5.388 0.046 -2.189
285 H LEU 37 H LEU 37 1.026 -1.092 -0.577
286 HA LEU 37 HA LEU 37 -0.397 1.230 0.127
287 HB2 LEU 37 HB2 LEU 37 0.779 -1.087 1.510
288 HB3 LEU 37 HB1 LEU 37 0.558 0.311 2.524
289 HG LEU 37 HG LEU 37 -1.299 -1.371 2.597
290 HD11 LEU 37 HD11 LEU 37 -1.620 0.933 3.290
291 HD12 LEU 37 HD12 LEU 37 -3.068 0.279 2.526
292 HD13 LEU 37 HD13 LEU 37 -2.016 1.380 1.630
293 HD21 LEU 37 HD21 LEU 37 -2.956 -1.275 0.724
294 HD22 LEU 37 HD22 LEU 37 -1.431 -2.040 0.294
295 HD23 LEU 37 HD23 LEU 37 -1.759 -0.393 -0.221
296 H ARG 38 H ARG 38 2.942 0.323 0.675
297 HA ARG 38 HA ARG 38 3.658 2.698 2.009
298 HB2 ARG 38 HB2 ARG 38 4.869 0.557 2.209
299 HB3 ARG 38 HB1 ARG 38 5.394 0.716 0.542
300 HG2 ARG 38 HG2 ARG 38 6.684 2.672 1.090
301 HG3 ARG 38 HG1 ARG 38 6.081 2.641 2.749
302 HD2 ARG 38 HD2 ARG 38 7.101 0.441 3.063
303 HD3 ARG 38 HD1 ARG 38 7.730 0.501 1.420
304 HE ARG 38 HE ARG 38 8.514 2.771 2.917
305 HH11 ARG 38 HH11 ARG 38 9.213 -0.669 2.591
306 HH12 ARG 38 HH12 ARG 38 10.861 -0.500 2.998
307 HH21 ARG 38 HH21 ARG 38 10.743 2.996 3.475
308 HH22 ARG 38 HH22 ARG 38 11.740 1.610 3.510
309 H GLU 39 H GLU 39 3.945 1.644 -1.359
310 HA GLU 39 HA GLU 39 5.314 3.888 -2.327
311 HB2 GLU 39 HB2 GLU 39 3.443 2.023 -3.784
312 HB3 GLU 39 HB1 GLU 39 4.466 3.215 -4.570
313 HG2 GLU 39 HG2 GLU 39 5.405 0.874 -2.924
314 HG3 GLU 39 HG1 GLU 39 5.460 1.005 -4.681
315 H ARG 40 H ARG 40 2.014 3.590 -1.429
316 HA ARG 40 HA ARG 40 1.172 5.893 -2.954
317 HB2 ARG 40 HB2 ARG 40 -0.465 4.113 -2.412
318 HB3 ARG 40 HB1 ARG 40 -0.269 4.460 -0.699
319 HG2 ARG 40 HG2 ARG 40 -1.089 6.778 -1.138
320 HG3 ARG 40 HG1 ARG 40 -1.418 6.299 -2.796
321 HD2 ARG 40 HD2 ARG 40 -2.650 5.079 -0.327
322 HD3 ARG 40 HD1 ARG 40 -3.437 6.243 -1.383
323 HE ARG 40 HE ARG 40 -2.531 3.833 -2.674
324 HH11 ARG 40 HH11 ARG 40 -5.362 5.501 -1.229
325 HH12 ARG 40 HH12 ARG 40 -6.433 4.294 -1.764
326 HH21 ARG 40 HH21 ARG 40 -4.091 2.257 -3.343
327 HH22 ARG 40 HH22 ARG 40 -5.730 2.394 -2.927
328 H GLU 41 H GLU 41 1.925 5.183 0.448
329 HA GLU 41 HA GLU 41 1.405 7.962 1.117
330 HB2 GLU 41 HB2 GLU 41 1.690 7.263 3.450
331 HB3 GLU 41 HB1 GLU 41 0.451 6.361 2.594
332 HG2 GLU 41 HG2 GLU 41 2.094 4.524 2.287
333 HG3 GLU 41 HG1 GLU 41 3.221 5.429 3.299
334 H GLN 42 H GLN 42 4.195 5.858 0.871
335 HA GLN 42 HA GLN 42 5.897 7.949 1.973
336 HB2 GLN 42 HB2 GLN 42 6.269 5.575 2.571
337 HB3 GLN 42 HB1 GLN 42 6.554 5.206 0.881
338 HG2 GLN 42 HG2 GLN 42 8.475 6.797 0.951
339 HG3 GLN 42 HG1 GLN 42 8.240 6.903 2.696
340 HE21 GLN 42 1HE2 GLN 42 9.115 4.851 0.057
341 HE22 GLN 42 2HE2 GLN 42 9.904 3.634 0.973
342 H GLY 43 H GLY 43 4.728 6.716 -0.959
343 HA2 GLY 43 HA2 GLY 43 6.888 7.673 -2.602
344 HA3 GLY 43 HA1 GLY 43 5.380 6.947 -3.149
345 H ARG 44 H ARG 44 7.111 9.707 -3.163
346 HA ARG 44 HA ARG 44 4.700 11.305 -3.424
347 HB2 ARG 44 HB2 ARG 44 7.446 12.214 -2.552
348 HB3 ARG 44 HB1 ARG 44 6.102 13.291 -2.904
349 HG2 ARG 44 HG2 ARG 44 6.254 11.247 -0.697
350 HG3 ARG 44 HG1 ARG 44 6.266 13.006 -0.530
351 HD2 ARG 44 HD2 ARG 44 3.997 13.093 -1.488
352 HD3 ARG 44 HD1 ARG 44 4.003 11.340 -1.619
353 HE ARG 44 HE ARG 44 4.331 12.609 0.978
354 HH11 ARG 44 HH11 ARG 44 2.541 10.421 -1.165
355 HH12 ARG 44 HH12 ARG 44 1.376 10.005 -0.006
356 HH21 ARG 44 HH21 ARG 44 2.792 12.000 2.593
357 HH22 ARG 44 HH22 ARG 44 1.558 10.889 2.236
358 H GLY 45 H GLY 45 5.067 13.195 -4.881
359 HA2 GLY 45 HA2 GLY 45 5.556 13.959 -7.002
360 HA3 GLY 45 HA1 GLY 45 6.856 12.765 -7.088
361 H GLU 46 H GLU 46 3.787 11.742 -6.126
362 HA GLU 46 HA GLU 46 2.761 10.953 -8.660
363 HB2 GLU 46 HB2 GLU 46 4.563 9.245 -8.260
364 HB3 GLU 46 HB1 GLU 46 3.793 8.834 -6.740
365 HG2 GLU 46 HG2 GLU 46 1.833 8.037 -7.924
366 HG3 GLU 46 HG1 GLU 46 2.552 8.508 -9.463
367 H ASP 47 H ASP 47 0.814 11.678 -8.164
368 HA ASP 47 HA ASP 47 -0.197 11.425 -5.456
369 HB2 ASP 47 HB2 ASP 47 -1.198 12.994 -7.815
370 HB3 ASP 47 HB1 ASP 47 -2.146 12.800 -6.350
371 H VAL 48 H VAL 48 -0.782 9.452 -5.167
372 HA VAL 48 HA VAL 48 -3.028 8.477 -6.772
373 HB VAL 48 HB VAL 48 -1.028 6.873 -5.128
374 HG11 VAL 48 HG11 VAL 48 -2.163 4.890 -6.008
375 HG12 VAL 48 HG12 VAL 48 -3.343 5.922 -6.813
376 HG13 VAL 48 3HG1 VAL 48 -3.262 5.884 -5.051
377 HG21 VAL 48 HG21 VAL 48 -0.082 7.670 -7.224
378 HG22 VAL 48 HG22 VAL 48 -1.446 6.992 -8.113
379 HG23 VAL 48 HG23 VAL 48 -0.322 5.923 -7.274
380 H ASP 49 H ASP 49 -4.801 8.954 -5.702
381 HA ASP 49 HA ASP 49 -6.348 9.230 -4.127
382 HB2 ASP 49 HB2 ASP 49 -6.165 6.924 -3.567
383 HB3 ASP 49 HB1 ASP 49 -4.668 7.183 -2.689
Start of MODEL 7
1 H PCA 1 H PGL 1 -9.405 2.677 -9.643
2 HA PCA 1 HA PGL 1 -11.360 1.138 -9.375
3 HB2 PCA 1 HB1 PGL 1 -11.189 -0.664 -10.760
4 HB3 PCA 1 HB2 PGL 1 -9.991 -1.344 -9.624
5 HG2 PCA 1 HG1 PGL 1 -9.521 -0.179 -12.260
6 HG3 PCA 1 HG2 PGL 1 -8.341 -0.945 -11.141
7 H ARG 2 H ARG 2 -8.462 1.665 -8.069
8 HA ARG 2 HA ARG 2 -9.115 0.176 -5.646
9 HB2 ARG 2 HB2 ARG 2 -6.601 0.176 -5.177
10 HB3 ARG 2 HB1 ARG 2 -7.170 -0.912 -6.426
11 HG2 ARG 2 HG2 ARG 2 -6.390 0.621 -8.145
12 HG3 ARG 2 HG1 ARG 2 -5.874 1.764 -6.904
13 HD2 ARG 2 HD2 ARG 2 -3.987 0.436 -7.763
14 HD3 ARG 2 HD1 ARG 2 -4.273 0.147 -6.051
15 HE ARG 2 HE ARG 2 -5.648 -1.761 -7.581
16 HH11 ARG 2 HH11 ARG 2 -2.284 -0.882 -6.765
17 HH12 ARG 2 HH12 ARG 2 -1.708 -2.472 -6.813
18 HH21 ARG 2 HH21 ARG 2 -4.820 -4.019 -7.602
19 HH22 ARG 2 HH22 ARG 2 -3.184 -4.269 -7.254
20 H GLY 3 H GLY 3 -9.944 1.565 -4.323
21 HA2 GLY 3 HA2 GLY 3 -8.992 4.313 -4.358
22 HA3 GLY 3 HA1 GLY 3 -10.526 3.758 -3.712
23 H SER 4 H SER 4 -10.337 2.350 -1.707
24 HA SER 4 HA SER 4 -8.742 3.877 0.143
25 HB2 SER 4 HB2 SER 4 -10.482 1.520 0.821
26 HB3 SER 4 HB1 SER 4 -10.095 2.927 1.805
27 HG SER 4 HG SER 4 -11.131 4.105 -0.067
28 HA PRO 5 HA PRO 5 -5.383 1.018 -0.504
29 HB2 PRO 5 HB2 PRO 5 -3.681 2.058 1.360
30 HB3 PRO 5 HB1 PRO 5 -3.941 2.761 -0.237
31 HG2 PRO 5 HG2 PRO 5 -5.134 3.535 2.392
32 HG3 PRO 5 HG1 PRO 5 -4.530 4.584 1.096
33 HD2 PRO 5 HD2 PRO 5 -7.143 4.119 1.494
34 HD3 PRO 5 HD1 PRO 5 -6.476 4.371 -0.128
35 H ARG 6 H ARG 6 -6.532 1.602 2.773
36 HA ARG 6 HA ARG 6 -5.125 -0.737 3.753
37 HB2 ARG 6 HB2 ARG 6 -7.076 1.091 5.183
38 HB3 ARG 6 HB1 ARG 6 -6.124 -0.179 5.938
39 HG2 ARG 6 HG2 ARG 6 -4.062 0.948 5.302
40 HG3 ARG 6 HG1 ARG 6 -4.997 2.206 4.503
41 HD2 ARG 6 HD2 ARG 6 -5.110 1.555 7.438
42 HD3 ARG 6 HD1 ARG 6 -4.170 2.864 6.731
43 HE ARG 6 HE ARG 6 -7.024 2.876 6.181
44 HH11 ARG 6 HH11 ARG 6 -4.366 4.171 8.127
45 HH12 ARG 6 HH12 ARG 6 -5.264 5.479 8.728
46 HH21 ARG 6 HH21 ARG 6 -8.250 4.703 7.000
47 HH22 ARG 6 HH22 ARG 6 -7.498 5.792 8.075
48 H ALA 7 H ALA 7 -8.282 0.114 2.715
49 HA ALA 7 HA ALA 7 -9.619 -2.274 3.496
50 HB1 ALA 7 HB1 ALA 7 -10.150 -0.452 1.145
51 HB2 ALA 7 HB2 ALA 7 -10.833 -0.247 2.759
52 HB3 ALA 7 HB3 ALA 7 -11.275 -1.648 1.779
53 H GLU 8 H GLU 8 -8.099 -1.160 0.523
54 HA GLU 8 HA GLU 8 -8.169 -3.330 -1.142
55 HB2 GLU 8 HB2 GLU 8 -6.031 -1.296 -0.617
56 HB3 GLU 8 HB1 GLU 8 -5.849 -2.527 -1.853
57 HG2 GLU 8 HG2 GLU 8 -8.108 -0.555 -1.751
58 HG3 GLU 8 HG1 GLU 8 -6.625 -0.335 -2.687
59 H TYR 9 H TYR 9 -5.739 -2.569 1.271
60 HA TYR 9 HA TYR 9 -4.033 -4.690 0.926
61 HB2 TYR 9 HB2 TYR 9 -3.505 -2.739 2.266
62 HB3 TYR 9 HB1 TYR 9 -4.688 -3.222 3.472
63 HD1 TYR 9 HD1 TYR 9 -1.527 -4.247 1.860
64 HD2 TYR 9 HD2 TYR 9 -4.136 -4.693 5.161
65 HE1 TYR 9 HE1 TYR 9 0.171 -5.587 2.986
66 HE2 TYR 9 HE2 TYR 9 -2.478 -6.042 6.328
67 HH TYR 9 HH TYR 9 -0.485 -7.459 5.728
68 H GLU 10 H GLU 10 -6.740 -4.528 3.248
69 HA GLU 10 HA GLU 10 -6.284 -7.146 4.206
70 HB2 GLU 10 HB2 GLU 10 -8.539 -5.228 4.488
71 HB3 GLU 10 HB1 GLU 10 -8.687 -6.892 5.068
72 HG2 GLU 10 HG2 GLU 10 -6.551 -4.964 5.880
73 HG3 GLU 10 HG1 GLU 10 -8.024 -5.300 6.802
74 H VAL 11 H VAL 11 -8.496 -5.900 1.757
75 HA VAL 11 HA VAL 11 -9.757 -8.410 1.401
76 HB VAL 11 HB VAL 11 -9.621 -6.116 -0.588
77 HG11 VAL 11 HG11 VAL 11 -11.698 -7.080 -1.482
78 HG12 VAL 11 HG12 VAL 11 -11.560 -8.418 -0.343
79 HG13 VAL 11 3HG1 VAL 11 -10.352 -8.213 -1.610
80 HG21 VAL 11 HG21 VAL 11 -11.672 -6.730 1.532
81 HG22 VAL 11 HG22 VAL 11 -11.781 -5.453 0.319
82 HG23 VAL 11 HG23 VAL 11 -10.522 -5.392 1.552
83 H CYS 12 H CYS 12 -6.962 -6.888 -0.016
84 HA CYS 12 HA CYS 12 -6.297 -8.602 -2.084
85 HB2 CYS 12 HB2 CYS 12 -5.057 -6.569 -1.629
86 HB3 CYS 12 HB1 CYS 12 -4.556 -7.178 -0.064
87 H ARG 13 H ARG 13 -5.629 -8.905 1.368
88 HA ARG 13 HA ARG 13 -4.189 -11.378 1.228
89 HB2 ARG 13 HB2 ARG 13 -5.726 -10.258 3.599
90 HB3 ARG 13 HB1 ARG 13 -4.365 -11.371 3.650
91 HG2 ARG 13 HG2 ARG 13 -2.854 -9.635 2.918
92 HG3 ARG 13 HG1 ARG 13 -4.193 -8.536 2.653
93 HD2 ARG 13 HD2 ARG 13 -3.224 -7.862 4.692
94 HD3 ARG 13 HD1 ARG 13 -4.689 -8.724 5.132
95 HE ARG 13 HE ARG 13 -2.250 -10.305 5.161
96 HH11 ARG 13 HH11 ARG 13 -4.433 -8.273 7.127
97 HH12 ARG 13 HH12 ARG 13 -3.861 -8.919 8.596
98 HH21 ARG 13 HH21 ARG 13 -1.450 -11.070 7.156
99 HH22 ARG 13 HH22 ARG 13 -2.103 -10.529 8.637
100 H LEU 14 H LEU 14 -7.510 -10.452 1.973
101 HA LEU 14 HA LEU 14 -8.576 -12.940 2.595
102 HB2 LEU 14 HB2 LEU 14 -9.718 -10.806 2.999
103 HB3 LEU 14 HB1 LEU 14 -9.935 -10.600 1.277
104 HG LEU 14 HG LEU 14 -11.410 -12.577 1.226
105 HD11 LEU 14 HD11 LEU 14 -12.245 -13.523 3.322
106 HD12 LEU 14 HD12 LEU 14 -11.078 -12.553 4.223
107 HD13 LEU 14 HD13 LEU 14 -10.518 -13.807 3.118
108 HD21 LEU 14 HD21 LEU 14 -12.202 -10.456 3.219
109 HD22 LEU 14 HD22 LEU 14 -13.308 -11.533 2.368
110 HD23 LEU 14 HD23 LEU 14 -12.360 -10.351 1.466
111 H ARG 15 H ARG 15 -8.401 -11.328 -0.565
112 HA ARG 15 HA ARG 15 -9.824 -13.174 -2.100
113 HB2 ARG 15 HB2 ARG 15 -7.431 -11.524 -2.935
114 HB3 ARG 15 HB1 ARG 15 -8.462 -12.399 -4.050
115 HG2 ARG 15 HG2 ARG 15 -9.307 -10.127 -2.269
116 HG3 ARG 15 HG1 ARG 15 -8.977 -10.025 -3.997
117 HD2 ARG 15 HD2 ARG 15 -10.832 -11.566 -4.439
118 HD3 ARG 15 HD1 ARG 15 -11.149 -11.678 -2.706
119 HE ARG 15 HE ARG 15 -11.142 -9.001 -3.525
120 HH11 ARG 15 HH11 ARG 15 -13.164 -11.886 -3.833
121 HH12 ARG 15 HH12 ARG 15 -14.637 -11.048 -3.849
122 HH21 ARG 15 HH21 ARG 15 -13.178 -7.821 -3.546
123 HH22 ARG 15 HH22 ARG 15 -14.634 -8.661 -3.666
124 H CYS 16 H CYS 16 -6.390 -13.094 -1.362
125 HA CYS 16 HA CYS 16 -5.766 -15.385 -2.846
126 HB2 CYS 16 HB2 CYS 16 -4.309 -13.984 -0.624
127 HB3 CYS 16 HB1 CYS 16 -3.578 -15.253 -1.596
128 H GLN 17 H GLN 17 -6.756 -14.946 0.498
129 HA GLN 17 HA GLN 17 -6.141 -17.576 1.394
130 HB2 GLN 17 HB2 GLN 17 -8.178 -15.605 2.389
131 HB3 GLN 17 HB1 GLN 17 -7.703 -17.063 3.247
132 HG2 GLN 17 HG2 GLN 17 -5.458 -16.237 3.500
133 HG3 GLN 17 HG1 GLN 17 -5.832 -14.824 2.518
134 HE21 GLN 17 1HE2 GLN 17 -8.480 -14.494 3.779
135 HE22 GLN 17 2HE2 GLN 17 -8.163 -13.859 5.344
136 H VAL 18 H VAL 18 -8.711 -16.312 -0.473
137 HA VAL 18 HA VAL 18 -10.405 -18.651 -0.018
138 HB VAL 18 HB VAL 18 -10.890 -16.263 -1.816
139 HG11 VAL 18 HG11 VAL 18 -12.158 -18.219 -2.531
140 HG12 VAL 18 HG12 VAL 18 -13.235 -17.002 -1.849
141 HG13 VAL 18 3HG1 VAL 18 -12.795 -18.422 -0.900
142 HG21 VAL 18 HG21 VAL 18 -12.453 -15.494 -0.076
143 HG22 VAL 18 HG22 VAL 18 -10.794 -15.582 0.515
144 HG23 VAL 18 HG23 VAL 18 -11.952 -16.836 0.952
145 H ALA 19 H ALA 19 -8.552 -17.103 -2.557
146 HA ALA 19 HA ALA 19 -9.271 -18.994 -4.569
147 HB1 ALA 19 HB1 ALA 19 -8.625 -16.707 -5.123
148 HB2 ALA 19 HB2 ALA 19 -7.569 -17.882 -5.912
149 HB3 ALA 19 HB3 ALA 19 -7.008 -17.010 -4.487
150 H GLU 20 H GLU 20 -6.439 -18.504 -2.502
151 HA GLU 20 HA GLU 20 -5.325 -21.036 -3.441
152 HB2 GLU 20 HB2 GLU 20 -3.960 -18.594 -2.307
153 HB3 GLU 20 HB1 GLU 20 -3.156 -20.067 -2.810
154 HG2 GLU 20 HG2 GLU 20 -4.687 -18.200 -4.603
155 HG3 GLU 20 HG1 GLU 20 -2.932 -18.263 -4.449
156 H ARG 21 H ARG 21 -4.101 -22.147 -1.724
157 HA ARG 21 HA ARG 21 -4.940 -21.408 1.000
158 HB2 ARG 21 HB2 ARG 21 -4.721 -24.195 -0.155
159 HB3 ARG 21 HB1 ARG 21 -4.895 -23.851 1.556
160 HG2 ARG 21 HG2 ARG 21 -6.876 -23.210 -0.610
161 HG3 ARG 21 HG1 ARG 21 -7.015 -24.501 0.583
162 HD2 ARG 21 HD2 ARG 21 -7.049 -21.517 1.087
163 HD3 ARG 21 HD1 ARG 21 -8.394 -22.635 1.266
164 HE ARG 21 HE ARG 21 -6.781 -23.704 2.988
165 HH11 ARG 21 HH11 ARG 21 -7.418 -20.241 2.473
166 HH12 ARG 21 HH12 ARG 21 -7.022 -19.804 4.068
167 HH21 ARG 21 HH21 ARG 21 -6.192 -23.046 5.213
168 HH22 ARG 21 HH22 ARG 21 -6.267 -21.384 5.597
169 H GLY 22 H GLY 22 -2.487 -21.027 -0.753
170 HA2 GLY 22 HA2 GLY 22 -0.550 -22.554 0.811
171 HA3 GLY 22 HA1 GLY 22 -0.236 -21.711 -0.703
172 H VAL 23 H VAL 23 0.940 -21.642 2.101
173 HA VAL 23 HA VAL 23 0.320 -19.095 3.178
174 HB VAL 23 HB VAL 23 1.298 -20.917 4.554
175 HG11 VAL 23 HG11 VAL 23 2.933 -21.842 3.057
176 HG12 VAL 23 HG12 VAL 23 3.726 -21.327 4.548
177 HG13 VAL 23 3HG1 VAL 23 3.860 -20.344 3.091
178 HG21 VAL 23 HG21 VAL 23 1.381 -18.661 5.409
179 HG22 VAL 23 HG22 VAL 23 2.899 -18.365 4.563
180 HG23 VAL 23 HG23 VAL 23 2.840 -19.530 5.885
181 H GLU 24 H GLU 24 2.758 -20.199 0.857
182 HA GLU 24 HA GLU 24 4.224 -17.796 0.849
183 HB2 GLU 24 HB2 GLU 24 5.172 -19.943 0.143
184 HB3 GLU 24 HB1 GLU 24 3.993 -20.042 -1.154
185 HG2 GLU 24 HG2 GLU 24 4.892 -18.038 -2.112
186 HG3 GLU 24 HG1 GLU 24 6.137 -18.003 -0.853
187 H GLN 25 H GLN 25 1.508 -19.132 -0.856
188 HA GLN 25 HA GLN 25 1.266 -17.298 -2.959
189 HB2 GLN 25 HB2 GLN 25 -0.989 -18.661 -1.461
190 HB3 GLN 25 HB1 GLN 25 -1.097 -17.949 -3.064
191 HG2 GLN 25 HG2 GLN 25 0.598 -20.319 -2.306
192 HG3 GLN 25 HG1 GLN 25 -0.950 -20.389 -3.144
193 HE21 GLN 25 1HE2 GLN 25 -1.046 -19.813 -5.300
194 HE22 GLN 25 2HE2 GLN 25 0.375 -19.612 -6.258
195 H GLN 26 H GLN 26 -0.381 -17.296 0.220
196 HA GLN 26 HA GLN 26 -1.376 -14.711 -0.053
197 HB2 GLN 26 HB2 GLN 26 -0.973 -16.456 2.351
198 HB3 GLN 26 HB1 GLN 26 -1.488 -14.786 2.533
199 HG2 GLN 26 HG2 GLN 26 -3.433 -16.140 2.564
200 HG3 GLN 26 HG1 GLN 26 -3.390 -15.285 1.024
201 HE21 GLN 26 1HE2 GLN 26 -3.289 -18.321 2.600
202 HE22 GLN 26 2HE2 GLN 26 -3.361 -19.280 1.162
203 H ARG 27 H ARG 27 1.681 -15.785 1.423
204 HA ARG 27 HA ARG 27 2.347 -13.235 2.363
205 HB2 ARG 27 HB2 ARG 27 4.177 -15.517 1.600
206 HB3 ARG 27 HB1 ARG 27 4.769 -14.013 2.290
207 HG2 ARG 27 HG2 ARG 27 3.350 -14.402 4.278
208 HG3 ARG 27 HG1 ARG 27 2.858 -15.944 3.586
209 HD2 ARG 27 HD2 ARG 27 5.174 -16.719 3.642
210 HD3 ARG 27 HD1 ARG 27 5.692 -15.163 4.299
211 HE ARG 27 HE ARG 27 3.654 -16.304 5.876
212 HH11 ARG 27 HH11 ARG 27 7.145 -16.663 5.271
213 HH12 ARG 27 HH12 ARG 27 7.485 -17.294 6.809
214 HH21 ARG 27 HH21 ARG 27 4.153 -17.171 8.013
215 HH22 ARG 27 HH22 ARG 27 5.744 -17.588 8.401
216 H LYS 28 H LYS 28 2.959 -14.652 -0.814
217 HA LYS 28 HA LYS 28 4.382 -12.447 -1.840
218 HB2 LYS 28 HB2 LYS 28 2.622 -14.463 -3.236
219 HB3 LYS 28 HB1 LYS 28 3.533 -13.238 -4.099
220 HG2 LYS 28 HG2 LYS 28 5.624 -14.200 -3.228
221 HG3 LYS 28 HG1 LYS 28 4.686 -15.434 -2.381
222 HD2 LYS 28 HD2 LYS 28 3.802 -16.251 -4.490
223 HD3 LYS 28 HD1 LYS 28 4.659 -14.985 -5.366
224 HE2 LYS 28 HE2 LYS 28 5.948 -17.200 -3.760
225 HE3 LYS 28 HE1 LYS 28 5.774 -17.165 -5.511
226 HZ1 LYS 28 HZ1 LYS 28 7.374 -15.277 -3.872
227 HZ2 LYS 28 HZ2 LYS 28 7.144 -15.135 -5.523
228 HZ3 LYS 28 HZ3 LYS 28 7.965 -16.470 -4.907
229 H CYS 29 H CYS 29 0.910 -13.158 -1.760
230 HA CYS 29 HA CYS 29 -0.066 -10.928 -3.137
231 HB2 CYS 29 HB2 CYS 29 -1.247 -12.436 -0.807
232 HB3 CYS 29 HB1 CYS 29 -2.141 -11.260 -1.749
233 H GLU 30 H GLU 30 0.641 -11.378 0.297
234 HA GLU 30 HA GLU 30 -0.194 -8.847 1.134
235 HB2 GLU 30 HB2 GLU 30 1.850 -10.665 2.393
236 HB3 GLU 30 HB1 GLU 30 1.074 -9.295 3.178
237 HG2 GLU 30 HG2 GLU 30 -1.093 -10.384 2.895
238 HG3 GLU 30 HG1 GLU 30 -0.289 -11.774 2.173
239 H GLN 31 H GLN 31 2.976 -10.070 0.161
240 HA GLN 31 HA GLN 31 4.444 -7.748 0.684
241 HB2 GLN 31 HB2 GLN 31 5.476 -9.920 0.120
242 HB3 GLN 31 HB1 GLN 31 4.891 -9.760 -1.528
243 HG2 GLN 31 HG2 GLN 31 7.230 -9.184 -1.429
244 HG3 GLN 31 HG1 GLN 31 6.280 -7.752 -1.810
245 HE21 GLN 31 1HE2 GLN 31 7.926 -6.368 -1.084
246 HE22 GLN 31 2HE2 GLN 31 8.244 -6.161 0.589
247 H VAL 32 H VAL 32 2.874 -8.753 -2.340
248 HA VAL 32 HA VAL 32 3.521 -6.547 -3.920
249 HB VAL 32 HB VAL 32 0.967 -8.201 -4.010
250 HG11 VAL 32 HG11 VAL 32 0.693 -6.095 -5.228
251 HG12 VAL 32 HG12 VAL 32 0.737 -7.470 -6.329
252 HG13 VAL 32 3HG1 VAL 32 2.153 -6.436 -6.156
253 HG21 VAL 32 HG21 VAL 32 2.095 -9.431 -5.815
254 HG22 VAL 32 HG22 VAL 32 2.958 -9.557 -4.282
255 HG23 VAL 32 HG23 VAL 32 3.548 -8.472 -5.540
256 H CYS 33 H CYS 33 0.678 -7.016 -1.880
257 HA CYS 33 HA CYS 33 -0.298 -4.417 -2.427
258 HB2 CYS 33 HB2 CYS 33 -1.162 -6.519 -0.457
259 HB3 CYS 33 HB1 CYS 33 -1.991 -4.972 -0.640
260 H GLU 34 H GLU 34 1.760 -5.686 0.099
261 HA GLU 34 HA GLU 34 1.414 -3.450 1.785
262 HB2 GLU 34 HB2 GLU 34 2.228 -5.629 2.645
263 HB3 GLU 34 HB1 GLU 34 3.700 -5.436 1.716
264 HG2 GLU 34 HG2 GLU 34 4.398 -3.598 3.057
265 HG3 GLU 34 HG1 GLU 34 2.838 -3.528 3.862
266 H GLU 35 H GLU 35 3.371 -4.026 -1.008
267 HA GLU 35 HA GLU 35 5.330 -2.054 -0.676
268 HB2 GLU 35 HB2 GLU 35 3.968 -2.957 -3.197
269 HB3 GLU 35 HB1 GLU 35 5.401 -1.943 -3.149
270 HG2 GLU 35 HG2 GLU 35 6.618 -3.724 -2.032
271 HG3 GLU 35 HG1 GLU 35 5.174 -4.740 -2.095
272 H ARG 36 H ARG 36 2.151 -1.770 -2.217
273 HA ARG 36 HA ARG 36 2.423 1.040 -2.605
274 HB2 ARG 36 HB2 ARG 36 -0.037 1.030 -3.118
275 HB3 ARG 36 HB1 ARG 36 0.910 -0.082 -4.091
276 HG2 ARG 36 HG2 ARG 36 0.130 -1.950 -2.827
277 HG3 ARG 36 HG1 ARG 36 -0.644 -0.888 -1.654
278 HD2 ARG 36 HD2 ARG 36 -2.252 -0.168 -3.274
279 HD3 ARG 36 HD1 ARG 36 -1.393 -1.004 -4.569
280 HE ARG 36 HE ARG 36 -1.888 -2.997 -2.938
281 HH11 ARG 36 HH11 ARG 36 -4.186 -0.437 -3.816
282 HH12 ARG 36 HH12 ARG 36 -5.485 -1.548 -4.023
283 HH21 ARG 36 HH21 ARG 36 -3.752 -4.465 -3.267
284 HH22 ARG 36 HH22 ARG 36 -5.239 -3.792 -3.711
285 H LEU 37 H LEU 37 1.187 -0.928 -0.038
286 HA LEU 37 HA LEU 37 -0.141 1.159 1.350
287 HB2 LEU 37 HB2 LEU 37 0.637 -1.632 1.931
288 HB3 LEU 37 HB1 LEU 37 0.329 -0.600 3.310
289 HG LEU 37 HG LEU 37 -1.588 -2.022 2.548
290 HD11 LEU 37 HD11 LEU 37 -1.974 0.976 2.530
291 HD12 LEU 37 HD12 LEU 37 -1.937 -0.067 3.954
292 HD13 LEU 37 HD13 LEU 37 -3.251 -0.210 2.786
293 HD21 LEU 37 HD21 LEU 37 -1.320 -1.827 0.162
294 HD22 LEU 37 HD22 LEU 37 -1.646 -0.092 0.231
295 HD23 LEU 37 HD23 LEU 37 -2.920 -1.248 0.634
296 H ARG 38 H ARG 38 3.111 0.022 1.259
297 HA ARG 38 HA ARG 38 4.160 1.201 3.565
298 HB2 ARG 38 HB2 ARG 38 5.296 -0.453 2.039
299 HB3 ARG 38 HB1 ARG 38 5.532 0.848 0.887
300 HG2 ARG 38 HG2 ARG 38 7.561 0.455 2.127
301 HG3 ARG 38 HG1 ARG 38 6.900 2.040 2.551
302 HD2 ARG 38 HD2 ARG 38 5.910 1.121 4.557
303 HD3 ARG 38 HD1 ARG 38 6.484 -0.486 4.128
304 HE ARG 38 HE ARG 38 8.736 0.932 4.225
305 HH11 ARG 38 HH11 ARG 38 5.987 0.673 6.465
306 HH12 ARG 38 HH12 ARG 38 6.955 0.894 7.863
307 HH21 ARG 38 HH21 ARG 38 10.025 1.253 6.170
308 HH22 ARG 38 HH22 ARG 38 9.249 1.221 7.695
309 H GLU 39 H GLU 39 3.509 2.409 0.365
310 HA GLU 39 HA GLU 39 4.773 4.922 0.571
311 HB2 GLU 39 HB2 GLU 39 2.387 4.215 -1.155
312 HB3 GLU 39 HB1 GLU 39 3.573 5.482 -1.452
313 HG2 GLU 39 HG2 GLU 39 5.312 3.750 -1.719
314 HG3 GLU 39 HG1 GLU 39 4.082 2.512 -1.507
315 H ARG 40 H ARG 40 1.621 3.712 1.471
316 HA ARG 40 HA ARG 40 0.601 6.332 2.078
317 HB2 ARG 40 HB2 ARG 40 -0.564 3.579 2.440
318 HB3 ARG 40 HB1 ARG 40 -1.309 4.973 3.200
319 HG2 ARG 40 HG2 ARG 40 -2.460 4.476 1.150
320 HG3 ARG 40 HG1 ARG 40 -1.597 5.996 0.958
321 HD2 ARG 40 HD2 ARG 40 0.183 4.790 -0.247
322 HD3 ARG 40 HD1 ARG 40 -0.733 3.295 -0.076
323 HE ARG 40 HE ARG 40 -2.371 5.210 -1.261
324 HH11 ARG 40 HH11 ARG 40 0.483 3.275 -2.094
325 HH12 ARG 40 HH12 ARG 40 0.224 3.366 -3.776
326 HH21 ARG 40 HH21 ARG 40 -2.716 5.345 -3.582
327 HH22 ARG 40 HH22 ARG 40 -1.630 4.586 -4.637
328 H GLU 41 H GLU 41 2.238 3.813 3.816
329 HA GLU 41 HA GLU 41 1.738 4.806 6.438
330 HB2 GLU 41 HB2 GLU 41 4.154 3.314 5.406
331 HB3 GLU 41 HB1 GLU 41 3.801 3.615 7.094
332 HG2 GLU 41 HG2 GLU 41 1.750 2.245 6.833
333 HG3 GLU 41 HG1 GLU 41 2.276 1.867 5.189
334 H GLN 42 H GLN 42 3.862 5.644 3.867
335 HA GLN 42 HA GLN 42 5.617 7.288 5.478
336 HB2 GLN 42 HB2 GLN 42 6.427 5.959 3.554
337 HB3 GLN 42 HB1 GLN 42 5.403 6.899 2.487
338 HG2 GLN 42 HG2 GLN 42 7.707 7.621 2.339
339 HG3 GLN 42 HG1 GLN 42 6.697 8.902 3.010
340 HE21 GLN 42 1HE2 GLN 42 6.953 9.488 5.135
341 HE22 GLN 42 2HE2 GLN 42 8.302 8.966 6.087
342 H GLY 43 H GLY 43 2.777 7.629 3.563
343 HA2 GLY 43 HA2 GLY 43 1.360 9.424 3.329
344 HA3 GLY 43 HA1 GLY 43 2.435 10.351 4.376
345 H ARG 44 H ARG 44 2.410 12.170 3.095
346 HA ARG 44 HA ARG 44 3.575 11.882 0.414
347 HB2 ARG 44 HB2 ARG 44 2.525 14.064 -0.073
348 HB3 ARG 44 HB1 ARG 44 1.351 12.829 0.356
349 HG2 ARG 44 HG2 ARG 44 1.286 13.760 2.650
350 HG3 ARG 44 HG1 ARG 44 2.371 15.040 2.118
351 HD2 ARG 44 HD2 ARG 44 0.056 15.766 2.123
352 HD3 ARG 44 HD1 ARG 44 0.722 15.768 0.485
353 HE ARG 44 HE ARG 44 -0.455 13.321 0.814
354 HH11 ARG 44 HH11 ARG 44 -1.653 16.658 1.039
355 HH12 ARG 44 HH12 ARG 44 -3.196 16.278 0.413
356 HH21 ARG 44 HH21 ARG 44 -2.618 12.833 -0.032
357 HH22 ARG 44 HH22 ARG 44 -3.746 14.107 -0.182
358 H GLY 45 H GLY 45 4.797 12.188 3.214
359 HA2 GLY 45 HA2 GLY 45 6.746 14.166 2.373
360 HA3 GLY 45 HA1 GLY 45 5.936 14.433 3.914
361 H GLU 46 H GLU 46 8.758 13.892 3.293
362 HA GLU 46 HA GLU 46 10.477 13.024 4.361
363 HB2 GLU 46 HB2 GLU 46 8.479 11.417 5.912
364 HB3 GLU 46 HB1 GLU 46 10.190 11.585 6.336
365 HG2 GLU 46 HG2 GLU 46 8.066 13.735 6.353
366 HG3 GLU 46 HG1 GLU 46 8.823 12.999 7.761
367 H ASP 47 H ASP 47 9.041 11.926 2.113
368 HA ASP 47 HA ASP 47 9.717 9.083 2.022
369 HB2 ASP 47 HB2 ASP 47 7.664 9.721 0.908
370 HB3 ASP 47 HB1 ASP 47 8.483 10.980 0.004
371 H VAL 48 H VAL 48 10.352 11.735 -0.197
372 HA VAL 48 HA VAL 48 13.190 11.146 -0.082
373 HB VAL 48 HB VAL 48 11.701 11.797 -2.671
374 HG11 VAL 48 HG11 VAL 48 14.593 11.106 -2.202
375 HG12 VAL 48 HG12 VAL 48 13.957 12.694 -2.626
376 HG13 VAL 48 3HG1 VAL 48 13.845 11.360 -3.777
377 HG21 VAL 48 HG21 VAL 48 12.279 9.536 -3.436
378 HG22 VAL 48 HG22 VAL 48 11.238 9.488 -2.012
379 HG23 VAL 48 HG23 VAL 48 12.967 9.179 -1.852
380 H ASP 49 H ASP 49 13.033 12.841 1.426
381 HA ASP 49 HA ASP 49 12.435 15.445 0.255
382 HB2 ASP 49 HB2 ASP 49 12.039 14.418 3.043
383 HB3 ASP 49 HB1 ASP 49 12.253 16.140 2.761
Start of MODEL 8
1 H PCA 1 H PGL 1 -13.236 4.754 5.854
2 HA PCA 1 HA PGL 1 -12.542 7.239 5.771
3 HB2 PCA 1 HB1 PGL 1 -10.295 7.537 5.968
4 HB3 PCA 1 HB2 PGL 1 -10.050 6.643 4.441
5 HG2 PCA 1 HG1 PGL 1 -9.588 5.717 7.156
6 HG3 PCA 1 HG2 PGL 1 -9.299 4.850 5.609
7 H ARG 2 H ARG 2 -11.790 8.348 3.653
8 HA ARG 2 HA ARG 2 -13.415 7.328 1.541
9 HB2 ARG 2 HB2 ARG 2 -11.464 9.628 1.648
10 HB3 ARG 2 HB1 ARG 2 -12.499 9.276 0.281
11 HG2 ARG 2 HG2 ARG 2 -14.460 9.745 1.541
12 HG3 ARG 2 HG1 ARG 2 -13.532 9.852 3.039
13 HD2 ARG 2 HD2 ARG 2 -14.124 12.067 2.129
14 HD3 ARG 2 HD1 ARG 2 -12.387 11.808 2.239
15 HE ARG 2 HE ARG 2 -13.371 11.088 -0.308
16 HH11 ARG 2 HH11 ARG 2 -12.639 13.958 1.641
17 HH12 ARG 2 HH12 ARG 2 -12.136 14.900 0.315
18 HH21 ARG 2 HH21 ARG 2 -12.673 12.411 -2.147
19 HH22 ARG 2 HH22 ARG 2 -12.152 14.013 -1.865
20 H GLY 3 H GLY 3 -12.669 5.512 0.613
21 HA2 GLY 3 HA2 GLY 3 -11.324 4.208 -0.725
22 HA3 GLY 3 HA1 GLY 3 -10.250 5.600 -0.923
23 H SER 4 H SER 4 -11.376 3.498 1.628
24 HA SER 4 HA SER 4 -9.409 3.928 3.496
25 HB2 SER 4 HB2 SER 4 -10.814 1.327 3.061
26 HB3 SER 4 HB1 SER 4 -10.306 2.035 4.588
27 HG SER 4 HG SER 4 -11.921 3.826 3.524
28 HA PRO 5 HA PRO 5 -5.997 1.987 1.160
29 HB2 PRO 5 HB2 PRO 5 -4.125 2.370 3.154
30 HB3 PRO 5 HB1 PRO 5 -4.548 3.579 1.939
31 HG2 PRO 5 HG2 PRO 5 -5.522 3.291 4.749
32 HG3 PRO 5 HG1 PRO 5 -5.040 4.762 3.884
33 HD2 PRO 5 HD2 PRO 5 -7.594 4.161 4.228
34 HD3 PRO 5 HD1 PRO 5 -7.032 4.859 2.695
35 H ARG 6 H ARG 6 -6.677 1.330 4.561
36 HA ARG 6 HA ARG 6 -5.175 -1.115 4.601
37 HB2 ARG 6 HB2 ARG 6 -7.250 -0.177 6.571
38 HB3 ARG 6 HB1 ARG 6 -6.063 -1.441 6.830
39 HG2 ARG 6 HG2 ARG 6 -4.262 0.178 6.717
40 HG3 ARG 6 HG1 ARG 6 -5.420 1.466 6.381
41 HD2 ARG 6 HD2 ARG 6 -5.220 -0.188 8.889
42 HD3 ARG 6 HD1 ARG 6 -4.820 1.520 8.712
43 HE ARG 6 HE ARG 6 -7.553 0.651 8.153
44 HH11 ARG 6 HH11 ARG 6 -5.368 2.471 10.301
45 HH12 ARG 6 HH12 ARG 6 -6.640 3.231 11.125
46 HH21 ARG 6 HH21 ARG 6 -9.261 1.693 9.323
47 HH22 ARG 6 HH22 ARG 6 -8.884 2.801 10.549
48 H ALA 7 H ALA 7 -8.523 -0.215 4.163
49 HA ALA 7 HA ALA 7 -9.586 -2.828 4.386
50 HB1 ALA 7 HB1 ALA 7 -10.728 -0.592 2.736
51 HB2 ALA 7 HB2 ALA 7 -10.948 -0.740 4.480
52 HB3 ALA 7 HB3 ALA 7 -11.599 -1.974 3.398
53 H GLU 8 H GLU 8 -8.462 -0.936 1.623
54 HA GLU 8 HA GLU 8 -8.996 -2.898 -0.337
55 HB2 GLU 8 HB2 GLU 8 -6.923 -0.697 -0.322
56 HB3 GLU 8 HB1 GLU 8 -7.343 -1.659 -1.731
57 HG2 GLU 8 HG2 GLU 8 -9.167 0.201 -0.226
58 HG3 GLU 8 HG1 GLU 8 -8.448 0.482 -1.812
59 H TYR 9 H TYR 9 -6.265 -2.258 1.727
60 HA TYR 9 HA TYR 9 -4.410 -4.088 0.764
61 HB2 TYR 9 HB2 TYR 9 -3.842 -2.430 2.441
62 HB3 TYR 9 HB1 TYR 9 -4.995 -3.120 3.567
63 HD1 TYR 9 HD1 TYR 9 -1.733 -3.557 1.974
64 HD2 TYR 9 HD2 TYR 9 -4.428 -5.024 4.900
65 HE1 TYR 9 HE1 TYR 9 0.053 -4.901 2.929
66 HE2 TYR 9 HE2 TYR 9 -2.675 -6.388 5.877
67 HH TYR 9 HH TYR 9 0.662 -5.994 4.956
68 H GLU 10 H GLU 10 -6.943 -4.494 3.208
69 HA GLU 10 HA GLU 10 -6.469 -7.203 3.717
70 HB2 GLU 10 HB2 GLU 10 -9.053 -5.693 4.025
71 HB3 GLU 10 HB1 GLU 10 -8.643 -7.249 4.750
72 HG2 GLU 10 HG2 GLU 10 -6.881 -6.196 6.028
73 HG3 GLU 10 HG1 GLU 10 -7.290 -4.636 5.312
74 H VAL 11 H VAL 11 -8.822 -5.647 1.517
75 HA VAL 11 HA VAL 11 -10.039 -8.019 0.624
76 HB VAL 11 HB VAL 11 -9.664 -5.444 -0.959
77 HG11 VAL 11 HG11 VAL 11 -11.610 -6.178 -2.261
78 HG12 VAL 11 HG12 VAL 11 -11.633 -7.696 -1.365
79 HG13 VAL 11 3HG1 VAL 11 -10.268 -7.312 -2.412
80 HG21 VAL 11 HG21 VAL 11 -11.947 -6.366 0.780
81 HG22 VAL 11 HG22 VAL 11 -11.951 -4.924 -0.231
82 HG23 VAL 11 HG23 VAL 11 -10.829 -5.045 1.126
83 H CYS 12 H CYS 12 -7.250 -6.284 -0.596
84 HA CYS 12 HA CYS 12 -6.631 -7.773 -2.851
85 HB2 CYS 12 HB2 CYS 12 -5.529 -5.675 -2.325
86 HB3 CYS 12 HB1 CYS 12 -4.810 -6.375 -0.885
87 H ARG 13 H ARG 13 -5.605 -8.304 0.524
88 HA ARG 13 HA ARG 13 -4.101 -10.614 -0.236
89 HB2 ARG 13 HB2 ARG 13 -3.539 -10.870 2.102
90 HB3 ARG 13 HB1 ARG 13 -3.354 -9.189 1.643
91 HG2 ARG 13 HG2 ARG 13 -5.584 -8.754 2.675
92 HG3 ARG 13 HG1 ARG 13 -5.574 -10.414 3.262
93 HD2 ARG 13 HD2 ARG 13 -3.554 -8.271 3.932
94 HD3 ARG 13 HD1 ARG 13 -4.819 -8.872 4.995
95 HE ARG 13 HE ARG 13 -3.069 -10.938 4.074
96 HH11 ARG 13 HH11 ARG 13 -3.470 -8.414 6.521
97 HH12 ARG 13 HH12 ARG 13 -2.388 -9.101 7.634
98 HH21 ARG 13 HH21 ARG 13 -1.546 -11.892 5.620
99 HH22 ARG 13 HH22 ARG 13 -1.280 -11.115 7.107
100 H LEU 14 H LEU 14 -7.289 -10.017 1.071
101 HA LEU 14 HA LEU 14 -7.982 -12.569 1.931
102 HB2 LEU 14 HB2 LEU 14 -9.355 -10.580 2.344
103 HB3 LEU 14 HB1 LEU 14 -9.723 -10.471 0.638
104 HG LEU 14 HG LEU 14 -10.930 -12.622 0.775
105 HD11 LEU 14 HD11 LEU 14 -11.501 -13.538 2.965
106 HD12 LEU 14 HD12 LEU 14 -10.388 -12.401 3.728
107 HD13 LEU 14 HD13 LEU 14 -9.774 -13.640 2.633
108 HD21 LEU 14 HD21 LEU 14 -12.870 -11.767 1.999
109 HD22 LEU 14 HD22 LEU 14 -12.146 -10.521 0.983
110 HD23 LEU 14 HD23 LEU 14 -11.861 -10.518 2.724
111 H ARG 15 H ARG 15 -8.151 -11.112 -1.249
112 HA ARG 15 HA ARG 15 -9.427 -13.209 -2.592
113 HB2 ARG 15 HB2 ARG 15 -7.474 -11.159 -3.620
114 HB3 ARG 15 HB1 ARG 15 -8.383 -12.249 -4.661
115 HG2 ARG 15 HG2 ARG 15 -10.465 -11.300 -3.881
116 HG3 ARG 15 HG1 ARG 15 -9.591 -10.260 -2.756
117 HD2 ARG 15 HD2 ARG 15 -8.490 -9.163 -4.632
118 HD3 ARG 15 HD1 ARG 15 -9.365 -10.204 -5.761
119 HE ARG 15 HE ARG 15 -11.339 -9.119 -4.358
120 HH11 ARG 15 HH11 ARG 15 -8.554 -7.595 -5.957
121 HH12 ARG 15 HH12 ARG 15 -9.377 -6.128 -6.264
122 HH21 ARG 15 HH21 ARG 15 -12.448 -7.082 -4.797
123 HH22 ARG 15 HH22 ARG 15 -11.640 -5.832 -5.578
124 H CYS 16 H CYS 16 -6.052 -12.741 -1.770
125 HA CYS 16 HA CYS 16 -5.126 -14.998 -3.236
126 HB2 CYS 16 HB2 CYS 16 -3.937 -13.511 -0.904
127 HB3 CYS 16 HB1 CYS 16 -3.125 -14.805 -1.771
128 H GLN 17 H GLN 17 -6.041 -14.371 0.112
129 HA GLN 17 HA GLN 17 -5.345 -16.816 1.245
130 HB2 GLN 17 HB2 GLN 17 -7.593 -14.962 2.015
131 HB3 GLN 17 HB1 GLN 17 -6.953 -16.251 3.020
132 HG2 GLN 17 HG2 GLN 17 -4.798 -15.134 3.108
133 HG3 GLN 17 HG1 GLN 17 -5.407 -13.858 2.056
134 HE21 GLN 17 1HE2 GLN 17 -5.476 -15.222 5.211
135 HE22 GLN 17 2HE2 GLN 17 -6.265 -13.899 5.988
136 H VAL 18 H VAL 18 -8.315 -15.848 -0.341
137 HA VAL 18 HA VAL 18 -9.512 -18.385 0.233
138 HB VAL 18 HB VAL 18 -10.876 -16.345 0.233
139 HG11 VAL 18 HG11 VAL 18 -9.849 -15.120 -1.481
140 HG12 VAL 18 HG12 VAL 18 -11.566 -15.324 -1.893
141 HG13 VAL 18 3HG1 VAL 18 -10.321 -16.314 -2.682
142 HG21 VAL 18 HG21 VAL 18 -11.744 -18.346 -1.845
143 HG22 VAL 18 HG22 VAL 18 -12.804 -17.196 -1.031
144 HG23 VAL 18 HG23 VAL 18 -12.005 -18.469 -0.106
145 H ALA 19 H ALA 19 -7.800 -17.004 -2.505
146 HA ALA 19 HA ALA 19 -8.701 -19.125 -4.270
147 HB1 ALA 19 HB1 ALA 19 -8.381 -16.862 -5.153
148 HB2 ALA 19 HB2 ALA 19 -7.391 -18.054 -5.995
149 HB3 ALA 19 HB3 ALA 19 -6.656 -16.980 -4.802
150 H GLU 20 H GLU 20 -5.831 -18.350 -2.427
151 HA GLU 20 HA GLU 20 -4.722 -20.951 -3.167
152 HB2 GLU 20 HB2 GLU 20 -3.199 -18.380 -2.679
153 HB3 GLU 20 HB1 GLU 20 -2.468 -19.957 -2.911
154 HG2 GLU 20 HG2 GLU 20 -3.414 -20.023 -5.185
155 HG3 GLU 20 HG1 GLU 20 -4.058 -18.401 -4.936
156 H ARG 21 H ARG 21 -4.794 -22.162 -1.400
157 HA ARG 21 HA ARG 21 -5.005 -20.879 1.178
158 HB2 ARG 21 HB2 ARG 21 -5.216 -23.778 0.385
159 HB3 ARG 21 HB1 ARG 21 -5.431 -23.184 2.027
160 HG2 ARG 21 HG2 ARG 21 -7.325 -21.835 1.302
161 HG3 ARG 21 HG1 ARG 21 -7.101 -22.402 -0.352
162 HD2 ARG 21 HD2 ARG 21 -8.887 -23.628 0.731
163 HD3 ARG 21 HD1 ARG 21 -7.526 -24.691 0.383
164 HE ARG 21 HE ARG 21 -6.961 -24.120 2.871
165 HH11 ARG 21 HH11 ARG 21 -10.178 -24.764 1.528
166 HH12 ARG 21 HH12 ARG 21 -10.784 -25.456 2.949
167 HH21 ARG 21 HH21 ARG 21 -7.803 -25.086 4.820
168 HH22 ARG 21 HH22 ARG 21 -9.402 -25.666 4.861
169 H GLY 22 H GLY 22 -2.496 -21.335 -0.551
170 HA2 GLY 22 HA2 GLY 22 -0.756 -22.686 1.315
171 HA3 GLY 22 HA1 GLY 22 -0.258 -21.842 -0.152
172 H VAL 23 H VAL 23 0.539 -21.753 2.747
173 HA VAL 23 HA VAL 23 -0.281 -19.213 3.732
174 HB VAL 23 HB VAL 23 2.052 -20.915 4.656
175 HG11 VAL 23 HG11 VAL 23 2.146 -18.625 5.491
176 HG12 VAL 23 HG12 VAL 23 1.778 -19.755 6.792
177 HG13 VAL 23 3HG1 VAL 23 0.496 -18.767 6.095
178 HG21 VAL 23 HG21 VAL 23 0.511 -21.807 6.345
179 HG22 VAL 23 HG22 VAL 23 -0.017 -22.197 4.707
180 HG23 VAL 23 HG23 VAL 23 -0.810 -20.904 5.605
181 H GLU 24 H GLU 24 2.585 -20.450 2.118
182 HA GLU 24 HA GLU 24 4.196 -18.155 2.334
183 HB2 GLU 24 HB2 GLU 24 4.169 -20.303 0.221
184 HB3 GLU 24 HB1 GLU 24 5.433 -19.099 0.404
185 HG2 GLU 24 HG2 GLU 24 4.672 -21.123 2.489
186 HG3 GLU 24 HG1 GLU 24 6.022 -21.285 1.369
187 H GLN 25 H GLN 25 1.791 -19.117 -0.001
188 HA GLN 25 HA GLN 25 2.314 -17.050 -1.872
189 HB2 GLN 25 HB2 GLN 25 -0.166 -18.705 -1.418
190 HB3 GLN 25 HB1 GLN 25 -0.038 -17.525 -2.704
191 HG2 GLN 25 HG2 GLN 25 0.391 -19.587 -3.708
192 HG3 GLN 25 HG1 GLN 25 1.962 -18.833 -3.520
193 HE21 GLN 25 1HE2 GLN 25 3.461 -19.767 -2.168
194 HE22 GLN 25 2HE2 GLN 25 3.248 -21.325 -1.469
195 H GLN 26 H GLN 26 0.127 -17.350 0.837
196 HA GLN 26 HA GLN 26 -1.069 -14.805 0.496
197 HB2 GLN 26 HB2 GLN 26 -0.863 -16.622 2.887
198 HB3 GLN 26 HB1 GLN 26 -1.842 -15.161 2.848
199 HG2 GLN 26 HG2 GLN 26 -3.194 -16.057 1.074
200 HG3 GLN 26 HG1 GLN 26 -2.160 -17.479 0.964
201 HE21 GLN 26 1HE2 GLN 26 -3.914 -18.801 1.333
202 HE22 GLN 26 2HE2 GLN 26 -4.594 -18.984 2.919
203 H ARG 27 H ARG 27 1.731 -15.976 2.227
204 HA ARG 27 HA ARG 27 2.372 -13.594 3.555
205 HB2 ARG 27 HB2 ARG 27 4.118 -15.885 2.652
206 HB3 ARG 27 HB1 ARG 27 4.739 -14.521 3.574
207 HG2 ARG 27 HG2 ARG 27 3.207 -15.035 5.396
208 HG3 ARG 27 HG1 ARG 27 2.538 -16.363 4.460
209 HD2 ARG 27 HD2 ARG 27 4.596 -17.575 4.573
210 HD3 ARG 27 HD1 ARG 27 5.431 -16.190 5.281
211 HE ARG 27 HE ARG 27 3.532 -16.546 7.045
212 HH11 ARG 27 HH11 ARG 27 5.473 -19.129 5.539
213 HH12 ARG 27 HH12 ARG 27 5.554 -20.038 6.973
214 HH21 ARG 27 HH21 ARG 27 3.680 -17.826 8.948
215 HH22 ARG 27 HH22 ARG 27 4.512 -19.306 8.946
216 H LYS 28 H LYS 28 3.157 -14.728 0.318
217 HA LYS 28 HA LYS 28 4.707 -12.448 -0.321
218 HB2 LYS 28 HB2 LYS 28 3.221 -14.352 -2.130
219 HB3 LYS 28 HB1 LYS 28 4.243 -13.049 -2.718
220 HG2 LYS 28 HG2 LYS 28 6.144 -14.063 -1.498
221 HG3 LYS 28 HG1 LYS 28 5.094 -15.419 -1.077
222 HD2 LYS 28 HD2 LYS 28 4.761 -15.915 -3.432
223 HD3 LYS 28 HD1 LYS 28 5.742 -14.520 -3.881
224 HE2 LYS 28 HE2 LYS 28 7.663 -15.529 -2.723
225 HE3 LYS 28 HE1 LYS 28 6.675 -16.940 -2.351
226 HZ1 LYS 28 HZ1 LYS 28 7.321 -15.983 -5.080
227 HZ2 LYS 28 HZ2 LYS 28 6.454 -17.377 -4.705
228 HZ3 LYS 28 HZ3 LYS 28 8.081 -17.260 -4.304
229 H CYS 29 H CYS 29 1.292 -13.224 -0.772
230 HA CYS 29 HA CYS 29 0.588 -10.893 -2.091
231 HB2 CYS 29 HB2 CYS 29 -1.012 -12.721 -0.359
232 HB3 CYS 29 HB1 CYS 29 -1.733 -11.306 -1.112
233 H GLU 30 H GLU 30 0.664 -11.415 1.461
234 HA GLU 30 HA GLU 30 -0.376 -8.871 1.976
235 HB2 GLU 30 HB2 GLU 30 0.565 -9.120 4.281
236 HB3 GLU 30 HB1 GLU 30 -0.425 -10.472 3.767
237 HG2 GLU 30 HG2 GLU 30 1.643 -11.709 3.240
238 HG3 GLU 30 HG1 GLU 30 2.573 -10.368 3.898
239 H GLN 31 H GLN 31 2.826 -9.894 1.156
240 HA GLN 31 HA GLN 31 4.059 -7.388 1.764
241 HB2 GLN 31 HB2 GLN 31 5.422 -9.446 1.507
242 HB3 GLN 31 HB1 GLN 31 4.964 -9.525 -0.190
243 HG2 GLN 31 HG2 GLN 31 6.032 -7.293 -0.517
244 HG3 GLN 31 HG1 GLN 31 6.614 -7.383 1.140
245 HE21 GLN 31 1HE2 GLN 31 8.085 -7.201 -1.341
246 HE22 GLN 31 2HE2 GLN 31 9.149 -8.553 -1.374
247 H VAL 32 H VAL 32 2.969 -8.934 -1.242
248 HA VAL 32 HA VAL 32 3.545 -6.881 -3.038
249 HB VAL 32 HB VAL 32 1.272 -8.888 -3.190
250 HG11 VAL 32 HG11 VAL 32 2.522 -7.245 -5.393
251 HG12 VAL 32 HG12 VAL 32 0.912 -7.013 -4.721
252 HG13 VAL 32 3HG1 VAL 32 1.291 -8.492 -5.604
253 HG21 VAL 32 HG21 VAL 32 2.793 -10.159 -4.618
254 HG22 VAL 32 HG22 VAL 32 3.457 -9.933 -2.998
255 HG23 VAL 32 HG23 VAL 32 4.051 -8.955 -4.341
256 H CYS 33 H CYS 33 0.543 -7.468 -1.261
257 HA CYS 33 HA CYS 33 -0.816 -5.266 -2.336
258 HB2 CYS 33 HB2 CYS 33 -1.283 -6.624 0.331
259 HB3 CYS 33 HB1 CYS 33 -2.423 -5.574 -0.498
260 H GLU 34 H GLU 34 1.368 -5.612 0.395
261 HA GLU 34 HA GLU 34 0.810 -3.059 1.511
262 HB2 GLU 34 HB2 GLU 34 1.893 -5.122 2.687
263 HB3 GLU 34 HB1 GLU 34 3.344 -4.600 1.881
264 HG2 GLU 34 HG2 GLU 34 3.360 -2.513 3.007
265 HG3 GLU 34 HG1 GLU 34 1.778 -2.832 3.720
266 H GLU 35 H GLU 35 2.954 -4.303 -0.931
267 HA GLU 35 HA GLU 35 4.705 -2.121 -1.070
268 HB2 GLU 35 HB2 GLU 35 3.889 -4.020 -3.274
269 HB3 GLU 35 HB1 GLU 35 5.259 -2.920 -3.356
270 HG2 GLU 35 HG2 GLU 35 6.192 -4.054 -1.355
271 HG3 GLU 35 HG1 GLU 35 4.885 -5.221 -1.470
272 H ARG 36 H ARG 36 1.601 -2.703 -2.564
273 HA ARG 36 HA ARG 36 1.511 -0.328 -4.122
274 HB2 ARG 36 HB2 ARG 36 -0.128 -2.077 -4.522
275 HB3 ARG 36 HB1 ARG 36 -0.705 -1.956 -2.866
276 HG2 ARG 36 HG2 ARG 36 -1.531 0.293 -3.295
277 HG3 ARG 36 HG1 ARG 36 -0.935 0.203 -4.950
278 HD2 ARG 36 HD2 ARG 36 -3.341 -0.221 -4.772
279 HD3 ARG 36 HD1 ARG 36 -2.459 -1.590 -5.440
280 HE ARG 36 HE ARG 36 -2.544 -2.393 -3.004
281 HH11 ARG 36 HH11 ARG 36 -5.120 -0.556 -4.547
282 HH12 ARG 36 HH12 ARG 36 -6.398 -1.452 -3.891
283 HH21 ARG 36 HH21 ARG 36 -4.300 -3.668 -2.071
284 HH22 ARG 36 HH22 ARG 36 -5.921 -3.295 -2.457
285 H LEU 37 H LEU 37 0.462 -1.136 -0.891
286 HA LEU 37 HA LEU 37 -0.563 1.357 -0.149
287 HB2 LEU 37 HB2 LEU 37 0.397 -1.048 1.311
288 HB3 LEU 37 HB1 LEU 37 0.163 0.407 2.241
289 HG LEU 37 HG LEU 37 -1.766 -1.152 2.338
290 HD11 LEU 37 HD11 LEU 37 -3.477 0.512 1.936
291 HD12 LEU 37 HD12 LEU 37 -2.326 1.487 1.023
292 HD13 LEU 37 HD13 LEU 37 -2.073 1.200 2.747
293 HD21 LEU 37 HD21 LEU 37 -1.698 -2.044 0.058
294 HD22 LEU 37 HD22 LEU 37 -2.129 -0.459 -0.579
295 HD23 LEU 37 HD23 LEU 37 -3.277 -1.347 0.422
296 H ARG 38 H ARG 38 2.669 0.089 -0.118
297 HA ARG 38 HA ARG 38 3.871 2.165 1.348
298 HB2 ARG 38 HB2 ARG 38 4.887 -0.072 0.945
299 HB3 ARG 38 HB1 ARG 38 5.150 0.389 -0.729
300 HG2 ARG 38 HG2 ARG 38 6.620 2.198 -0.007
301 HG3 ARG 38 HG1 ARG 38 6.350 1.745 1.676
302 HD2 ARG 38 HD2 ARG 38 7.257 -0.508 1.143
303 HD3 ARG 38 HD1 ARG 38 7.641 0.090 -0.470
304 HE ARG 38 HE ARG 38 8.754 1.835 1.361
305 HH11 ARG 38 HH11 ARG 38 9.203 -1.482 0.267
306 HH12 ARG 38 HH12 ARG 38 10.817 -1.613 0.768
307 HH21 ARG 38 HH21 ARG 38 10.987 1.702 2.062
308 HH22 ARG 38 HH22 ARG 38 11.864 0.265 1.787
309 H GLU 39 H GLU 39 3.111 1.792 -2.087
310 HA GLU 39 HA GLU 39 4.613 4.062 -2.913
311 HB2 GLU 39 HB2 GLU 39 2.215 2.769 -4.231
312 HB3 GLU 39 HB1 GLU 39 3.231 3.991 -4.977
313 HG2 GLU 39 HG2 GLU 39 4.047 1.219 -4.159
314 HG3 GLU 39 HG1 GLU 39 3.825 1.821 -5.799
315 H ARG 40 H ARG 40 1.377 3.548 -1.762
316 HA ARG 40 HA ARG 40 0.472 6.212 -2.103
317 HB2 ARG 40 HB2 ARG 40 -0.410 4.084 -0.126
318 HB3 ARG 40 HB1 ARG 40 -1.256 5.607 -0.370
319 HG2 ARG 40 HG2 ARG 40 -1.740 5.006 -2.666
320 HG3 ARG 40 HG1 ARG 40 -0.803 3.525 -2.503
321 HD2 ARG 40 HD2 ARG 40 -3.165 3.030 -2.357
322 HD3 ARG 40 HD1 ARG 40 -2.402 2.733 -0.802
323 HE ARG 40 HE ARG 40 -3.313 5.169 -0.391
324 HH11 ARG 40 HH11 ARG 40 -4.999 2.542 -2.105
325 HH12 ARG 40 HH12 ARG 40 -6.540 2.993 -1.557
326 HH21 ARG 40 HH21 ARG 40 -5.477 5.745 0.382
327 HH22 ARG 40 HH22 ARG 40 -6.839 4.848 -0.102
328 H GLU 41 H GLU 41 2.064 4.510 0.538
329 HA GLU 41 HA GLU 41 2.235 6.690 2.336
330 HB2 GLU 41 HB2 GLU 41 3.852 4.177 2.074
331 HB3 GLU 41 HB1 GLU 41 4.050 5.333 3.380
332 HG2 GLU 41 HG2 GLU 41 1.543 3.801 2.749
333 HG3 GLU 41 HG1 GLU 41 2.684 3.444 4.048
334 H GLN 42 H GLN 42 3.930 6.013 -0.520
335 HA GLN 42 HA GLN 42 6.338 7.465 0.172
336 HB2 GLN 42 HB2 GLN 42 6.317 5.460 -1.350
337 HB3 GLN 42 HB1 GLN 42 5.379 6.388 -2.501
338 HG2 GLN 42 HG2 GLN 42 7.660 6.327 -3.226
339 HG3 GLN 42 HG1 GLN 42 7.279 7.963 -2.708
340 HE21 GLN 42 1HE2 GLN 42 9.423 8.449 -2.381
341 HE22 GLN 42 2HE2 GLN 42 10.330 7.836 -1.054
342 H GLY 43 H GLY 43 3.225 8.121 -0.830
343 HA2 GLY 43 HA2 GLY 43 3.992 10.846 -1.616
344 HA3 GLY 43 HA1 GLY 43 2.663 9.987 -2.398
345 H ARG 44 H ARG 44 3.443 9.689 0.964
346 HA ARG 44 HA ARG 44 2.338 10.054 2.864
347 HB2 ARG 44 HB2 ARG 44 1.569 12.495 1.335
348 HB3 ARG 44 HB1 ARG 44 0.707 12.171 2.827
349 HG2 ARG 44 HG2 ARG 44 2.601 13.758 3.093
350 HG3 ARG 44 HG1 ARG 44 2.742 12.328 4.104
351 HD2 ARG 44 HD2 ARG 44 4.900 12.956 3.113
352 HD3 ARG 44 HD1 ARG 44 4.367 11.378 2.549
353 HE ARG 44 HE ARG 44 3.608 13.520 0.831
354 HH11 ARG 44 HH11 ARG 44 6.306 11.345 1.659
355 HH12 ARG 44 HH12 ARG 44 6.988 11.373 0.101
356 HH21 ARG 44 HH21 ARG 44 4.585 13.525 -1.350
357 HH22 ARG 44 HH22 ARG 44 5.988 12.621 -1.643
358 H GLY 45 H GLY 45 1.223 8.300 3.071
359 HA2 GLY 45 HA2 GLY 45 -1.254 7.902 1.612
360 HA3 GLY 45 HA1 GLY 45 -0.431 6.730 2.634
361 H GLU 46 H GLU 46 -0.378 9.361 4.408
362 HA GLU 46 HA GLU 46 -2.681 8.610 5.984
363 HB2 GLU 46 HB2 GLU 46 -0.384 9.260 6.897
364 HB3 GLU 46 HB1 GLU 46 -0.766 10.912 6.442
365 HG2 GLU 46 HG2 GLU 46 -2.766 10.773 7.918
366 HG3 GLU 46 HG1 GLU 46 -2.192 9.200 8.463
367 H ASP 47 H ASP 47 -2.685 9.992 3.267
368 HA ASP 47 HA ASP 47 -3.711 12.604 3.382
369 HB2 ASP 47 HB2 ASP 47 -2.886 11.553 1.313
370 HB3 ASP 47 HB1 ASP 47 -4.261 10.454 1.329
371 H VAL 48 H VAL 48 -5.230 9.501 3.714
372 HA VAL 48 HA VAL 48 -7.873 10.401 3.447
373 HB VAL 48 HB VAL 48 -8.516 8.197 4.524
374 HG11 VAL 48 HG11 VAL 48 -7.765 6.865 2.589
375 HG12 VAL 48 HG12 VAL 48 -6.637 8.156 2.163
376 HG13 VAL 48 3HG1 VAL 48 -8.373 8.450 2.122
377 HG21 VAL 48 HG21 VAL 48 -6.745 6.500 4.777
378 HG22 VAL 48 HG22 VAL 48 -6.504 7.846 5.892
379 HG23 VAL 48 HG23 VAL 48 -5.523 7.725 4.433
380 H ASP 49 H ASP 49 -8.570 11.938 4.665
381 HA ASP 49 HA ASP 49 -8.165 11.877 7.557
382 HB2 ASP 49 HB2 ASP 49 -7.807 14.053 6.484
383 HB3 ASP 49 HB1 ASP 49 -9.423 13.994 5.785
Start of MODEL 9
1 H PCA 1 H PGL 1 -14.889 -2.989 -3.329
2 HA PCA 1 HA PGL 1 -12.937 -4.240 -2.381
3 HB2 PCA 1 HB1 PGL 1 -12.090 -5.598 -4.013
4 HB3 PCA 1 HB2 PGL 1 -11.175 -4.181 -4.601
5 HG2 PCA 1 HG1 PGL 1 -13.479 -5.482 -5.827
6 HG3 PCA 1 HG2 PGL 1 -12.510 -4.095 -6.437
7 H ARG 2 H ARG 2 -13.374 -1.344 -3.941
8 HA ARG 2 HA ARG 2 -10.768 -0.317 -3.140
9 HB2 ARG 2 HB2 ARG 2 -11.203 -0.014 -5.509
10 HB3 ARG 2 HB1 ARG 2 -12.760 0.704 -5.173
11 HG2 ARG 2 HG2 ARG 2 -11.784 2.691 -4.351
12 HG3 ARG 2 HG1 ARG 2 -10.190 1.944 -4.254
13 HD2 ARG 2 HD2 ARG 2 -11.696 2.352 -6.822
14 HD3 ARG 2 HD1 ARG 2 -10.505 3.495 -6.195
15 HE ARG 2 HE ARG 2 -9.095 1.269 -6.179
16 HH11 ARG 2 HH11 ARG 2 -11.239 2.457 -8.719
17 HH12 ARG 2 HH12 ARG 2 -10.295 1.839 -9.993
18 HH21 ARG 2 HH21 ARG 2 -7.781 0.434 -7.962
19 HH22 ARG 2 HH22 ARG 2 -8.312 0.693 -9.560
20 H GLY 3 H GLY 3 -10.658 1.662 -2.035
21 HA2 GLY 3 HA2 GLY 3 -12.598 3.313 -1.169
22 HA3 GLY 3 HA1 GLY 3 -12.696 1.947 -0.054
23 H SER 4 H SER 4 -11.558 2.202 1.704
24 HA SER 4 HA SER 4 -9.442 4.111 1.841
25 HB2 SER 4 HB2 SER 4 -10.363 2.019 3.832
26 HB3 SER 4 HB1 SER 4 -9.316 3.398 4.194
27 HG SER 4 HG SER 4 -11.730 3.943 2.940
28 HA PRO 5 HA PRO 5 -6.225 1.701 0.139
29 HB2 PRO 5 HB2 PRO 5 -4.150 2.450 1.885
30 HB3 PRO 5 HB1 PRO 5 -4.605 3.251 0.381
31 HG2 PRO 5 HG2 PRO 5 -5.298 3.943 3.185
32 HG3 PRO 5 HG1 PRO 5 -5.047 5.005 1.793
33 HD2 PRO 5 HD2 PRO 5 -7.493 4.475 2.762
34 HD3 PRO 5 HD1 PRO 5 -7.209 4.722 1.029
35 H ARG 6 H ARG 6 -6.148 1.527 3.718
36 HA ARG 6 HA ARG 6 -4.756 -0.957 3.628
37 HB2 ARG 6 HB2 ARG 6 -4.519 0.547 5.577
38 HB3 ARG 6 HB1 ARG 6 -6.203 0.267 5.998
39 HG2 ARG 6 HG2 ARG 6 -5.727 -2.086 6.403
40 HG3 ARG 6 HG1 ARG 6 -4.051 -1.845 5.921
41 HD2 ARG 6 HD2 ARG 6 -3.762 -0.272 7.790
42 HD3 ARG 6 HD1 ARG 6 -5.430 -0.560 8.280
43 HE ARG 6 HE ARG 6 -4.241 -3.029 8.139
44 HH11 ARG 6 HH11 ARG 6 -3.794 -0.120 10.092
45 HH12 ARG 6 HH12 ARG 6 -3.055 -0.938 11.394
46 HH21 ARG 6 HH21 ARG 6 -3.252 -4.128 9.883
47 HH22 ARG 6 HH22 ARG 6 -2.703 -3.283 11.263
48 H ALA 7 H ALA 7 -8.101 -0.065 3.675
49 HA ALA 7 HA ALA 7 -9.114 -2.625 4.314
50 HB1 ALA 7 HB1 ALA 7 -10.531 -0.615 4.402
51 HB2 ALA 7 HB2 ALA 7 -11.230 -1.829 3.330
52 HB3 ALA 7 HB3 ALA 7 -10.387 -0.435 2.656
53 H GLU 8 H GLU 8 -8.200 -1.038 1.314
54 HA GLU 8 HA GLU 8 -8.960 -3.079 -0.517
55 HB2 GLU 8 HB2 GLU 8 -6.609 -1.212 -0.801
56 HB3 GLU 8 HB1 GLU 8 -7.512 -1.989 -2.089
57 HG2 GLU 8 HG2 GLU 8 -9.456 -0.637 -1.544
58 HG3 GLU 8 HG1 GLU 8 -8.554 0.134 -0.239
59 H TYR 9 H TYR 9 -6.082 -2.359 1.283
60 HA TYR 9 HA TYR 9 -4.320 -4.319 0.407
61 HB2 TYR 9 HB2 TYR 9 -3.609 -2.491 1.823
62 HB3 TYR 9 HB1 TYR 9 -4.691 -3.017 3.097
63 HD1 TYR 9 HD1 TYR 9 -4.027 -4.595 4.678
64 HD2 TYR 9 HD2 TYR 9 -1.599 -3.884 1.274
65 HE1 TYR 9 HE1 TYR 9 -2.258 -5.886 5.704
66 HE2 TYR 9 HE2 TYR 9 0.208 -5.181 2.292
67 HH TYR 9 HH TYR 9 -0.265 -7.103 5.084
68 H GLU 10 H GLU 10 -6.636 -4.402 3.102
69 HA GLU 10 HA GLU 10 -6.154 -7.061 3.836
70 HB2 GLU 10 HB2 GLU 10 -8.619 -5.358 4.206
71 HB3 GLU 10 HB1 GLU 10 -8.343 -6.919 4.979
72 HG2 GLU 10 HG2 GLU 10 -6.565 -4.522 5.342
73 HG3 GLU 10 HG1 GLU 10 -7.894 -4.941 6.418
74 H VAL 11 H VAL 11 -8.505 -5.632 1.584
75 HA VAL 11 HA VAL 11 -9.890 -7.938 0.843
76 HB VAL 11 HB VAL 11 -9.157 -5.577 -0.941
77 HG11 VAL 11 HG11 VAL 11 -9.785 -7.516 -2.301
78 HG12 VAL 11 HG12 VAL 11 -11.029 -6.268 -2.366
79 HG13 VAL 11 3HG1 VAL 11 -11.270 -7.699 -1.365
80 HG21 VAL 11 HG21 VAL 11 -11.669 -6.177 0.608
81 HG22 VAL 11 HG22 VAL 11 -11.433 -4.806 -0.476
82 HG23 VAL 11 HG23 VAL 11 -10.476 -4.940 1.000
83 H CYS 12 H CYS 12 -6.850 -6.689 -0.361
84 HA CYS 12 HA CYS 12 -6.289 -8.503 -2.403
85 HB2 CYS 12 HB2 CYS 12 -4.909 -6.576 -2.143
86 HB3 CYS 12 HB1 CYS 12 -4.495 -7.011 -0.492
87 H ARG 13 H ARG 13 -5.706 -8.758 1.051
88 HA ARG 13 HA ARG 13 -4.260 -11.234 0.995
89 HB2 ARG 13 HB2 ARG 13 -5.877 -10.119 3.299
90 HB3 ARG 13 HB1 ARG 13 -4.452 -11.144 3.392
91 HG2 ARG 13 HG2 ARG 13 -3.054 -9.344 2.594
92 HG3 ARG 13 HG1 ARG 13 -4.462 -8.318 2.353
93 HD2 ARG 13 HD2 ARG 13 -3.596 -7.565 4.366
94 HD3 ARG 13 HD1 ARG 13 -4.873 -8.666 4.869
95 HE ARG 13 HE ARG 13 -2.598 -10.177 4.750
96 HH11 ARG 13 HH11 ARG 13 -3.802 -7.431 6.639
97 HH12 ARG 13 HH12 ARG 13 -2.665 -7.622 7.895
98 HH21 ARG 13 HH21 ARG 13 -1.017 -10.415 6.405
99 HH22 ARG 13 HH22 ARG 13 -1.016 -9.404 7.770
100 H LEU 14 H LEU 14 -7.579 -10.270 1.683
101 HA LEU 14 HA LEU 14 -8.692 -12.780 2.168
102 HB2 LEU 14 HB2 LEU 14 -10.011 -10.365 0.932
103 HB3 LEU 14 HB1 LEU 14 -10.847 -11.739 1.624
104 HG LEU 14 HG LEU 14 -9.101 -9.815 3.168
105 HD11 LEU 14 HD11 LEU 14 -11.178 -8.985 4.108
106 HD12 LEU 14 HD12 LEU 14 -12.094 -10.074 3.071
107 HD13 LEU 14 HD13 LEU 14 -11.152 -8.765 2.359
108 HD21 LEU 14 HD21 LEU 14 -10.909 -12.042 4.112
109 HD22 LEU 14 HD22 LEU 14 -10.053 -10.901 5.146
110 HD23 LEU 14 HD23 LEU 14 -9.146 -12.049 4.165
111 H ARG 15 H ARG 15 -8.182 -11.053 -0.873
112 HA ARG 15 HA ARG 15 -9.529 -12.695 -2.682
113 HB2 ARG 15 HB2 ARG 15 -6.910 -11.226 -3.007
114 HB3 ARG 15 HB1 ARG 15 -7.697 -12.070 -4.324
115 HG2 ARG 15 HG2 ARG 15 -8.898 -9.787 -2.783
116 HG3 ARG 15 HG1 ARG 15 -8.070 -9.629 -4.328
117 HD2 ARG 15 HD2 ARG 15 -9.714 -11.189 -5.309
118 HD3 ARG 15 HD1 ARG 15 -10.599 -11.197 -3.788
119 HE ARG 15 HE ARG 15 -10.085 -8.701 -5.233
120 HH11 ARG 15 HH11 ARG 15 -12.419 -10.910 -3.749
121 HH12 ARG 15 HH12 ARG 15 -13.782 -9.988 -4.185
122 HH21 ARG 15 HH21 ARG 15 -11.888 -7.447 -5.798
123 HH22 ARG 15 HH22 ARG 15 -13.476 -7.940 -5.393
124 H CYS 16 H CYS 16 -6.230 -12.954 -1.506
125 HA CYS 16 HA CYS 16 -5.636 -15.316 -2.917
126 HB2 CYS 16 HB2 CYS 16 -4.356 -13.986 -0.560
127 HB3 CYS 16 HB1 CYS 16 -3.670 -15.406 -1.332
128 H GLN 17 H GLN 17 -7.208 -14.752 0.081
129 HA GLN 17 HA GLN 17 -6.932 -17.422 1.088
130 HB2 GLN 17 HB2 GLN 17 -8.841 -15.195 1.778
131 HB3 GLN 17 HB1 GLN 17 -8.723 -16.710 2.660
132 HG2 GLN 17 HG2 GLN 17 -6.547 -16.204 3.417
133 HG3 GLN 17 HG1 GLN 17 -6.403 -14.850 2.296
134 HE21 GLN 17 1HE2 GLN 17 -5.962 -13.435 3.921
135 HE22 GLN 17 2HE2 GLN 17 -7.148 -12.848 5.024
136 H VAL 18 H VAL 18 -9.346 -15.608 -0.724
137 HA VAL 18 HA VAL 18 -11.236 -17.759 -0.808
138 HB VAL 18 HB VAL 18 -11.161 -15.226 -2.479
139 HG11 VAL 18 HG11 VAL 18 -13.408 -17.175 -1.969
140 HG12 VAL 18 HG12 VAL 18 -12.546 -16.962 -3.492
141 HG13 VAL 18 3HG1 VAL 18 -13.542 -15.653 -2.849
142 HG21 VAL 18 HG21 VAL 18 -11.310 -14.742 -0.095
143 HG22 VAL 18 HG22 VAL 18 -12.675 -15.849 0.056
144 HG23 VAL 18 HG23 VAL 18 -12.834 -14.378 -0.902
145 H ALA 19 H ALA 19 -8.853 -16.454 -3.042
146 HA ALA 19 HA ALA 19 -9.435 -18.281 -5.162
147 HB1 ALA 19 HB1 ALA 19 -8.267 -16.169 -5.535
148 HB2 ALA 19 HB2 ALA 19 -7.311 -17.566 -6.084
149 HB3 ALA 19 HB3 ALA 19 -6.930 -16.777 -4.546
150 H GLU 20 H GLU 20 -7.627 -18.388 -2.277
151 HA GLU 20 HA GLU 20 -6.746 -19.964 -1.082
152 HB2 GLU 20 HB2 GLU 20 -7.706 -21.839 -3.200
153 HB3 GLU 20 HB1 GLU 20 -7.216 -22.304 -1.556
154 HG2 GLU 20 HG2 GLU 20 -9.016 -20.883 -0.669
155 HG3 GLU 20 HG1 GLU 20 -9.447 -20.476 -2.327
156 H ARG 21 H ARG 21 -4.814 -19.197 -1.239
157 HA ARG 21 HA ARG 21 -2.953 -20.499 -3.111
158 HB2 ARG 21 HB2 ARG 21 -2.610 -17.852 -1.677
159 HB3 ARG 21 HB1 ARG 21 -1.490 -18.568 -2.820
160 HG2 ARG 21 HG2 ARG 21 -4.256 -17.551 -3.437
161 HG3 ARG 21 HG1 ARG 21 -2.734 -16.759 -3.840
162 HD2 ARG 21 HD2 ARG 21 -2.142 -18.697 -5.253
163 HD3 ARG 21 HD1 ARG 21 -3.716 -19.412 -4.889
164 HE ARG 21 HE ARG 21 -3.556 -16.761 -6.084
165 HH11 ARG 21 HH11 ARG 21 -4.506 -20.178 -6.432
166 HH12 ARG 21 HH12 ARG 21 -5.412 -19.916 -7.843
167 HH21 ARG 21 HH21 ARG 21 -4.809 -16.430 -8.069
168 HH22 ARG 21 HH22 ARG 21 -5.561 -17.763 -8.796
169 H GLY 22 H GLY 22 -0.748 -20.728 -2.130
170 HA2 GLY 22 HA2 GLY 22 -0.945 -22.171 0.302
171 HA3 GLY 22 HA1 GLY 22 0.530 -21.824 -0.590
172 H VAL 23 H VAL 23 0.746 -21.818 2.015
173 HA VAL 23 HA VAL 23 0.095 -19.534 3.513
174 HB VAL 23 HB VAL 23 2.498 -21.351 3.834
175 HG11 VAL 23 HG11 VAL 23 2.715 -19.297 5.140
176 HG12 VAL 23 HG12 VAL 23 2.472 -20.697 6.181
177 HG13 VAL 23 3HG1 VAL 23 1.136 -19.590 5.872
178 HG21 VAL 23 HG21 VAL 23 1.113 -22.612 5.410
179 HG22 VAL 23 HG22 VAL 23 0.408 -22.611 3.794
180 HG23 VAL 23 HG23 VAL 23 -0.253 -21.562 5.046
181 H GLU 24 H GLU 24 2.973 -20.347 1.689
182 HA GLU 24 HA GLU 24 4.523 -18.054 2.229
183 HB2 GLU 24 HB2 GLU 24 4.504 -19.800 -0.229
184 HB3 GLU 24 HB1 GLU 24 5.797 -18.725 0.271
185 HG2 GLU 24 HG2 GLU 24 6.340 -20.085 2.126
186 HG3 GLU 24 HG1 GLU 24 4.870 -21.038 1.952
187 H GLN 25 H GLN 25 2.206 -18.878 -0.247
188 HA GLN 25 HA GLN 25 2.591 -16.566 -1.813
189 HB2 GLN 25 HB2 GLN 25 0.439 -18.652 -1.794
190 HB3 GLN 25 HB1 GLN 25 0.270 -17.208 -2.779
191 HG2 GLN 25 HG2 GLN 25 1.127 -19.083 -4.087
192 HG3 GLN 25 HG1 GLN 25 2.299 -17.778 -3.998
193 HE21 GLN 25 1HE2 GLN 25 1.547 -21.034 -3.047
194 HE22 GLN 25 2HE2 GLN 25 3.123 -21.434 -2.461
195 H GLN 26 H GLN 26 0.301 -17.302 0.770
196 HA GLN 26 HA GLN 26 -1.265 -14.950 0.617
197 HB2 GLN 26 HB2 GLN 26 -0.396 -16.354 3.179
198 HB3 GLN 26 HB1 GLN 26 -1.768 -15.278 2.966
199 HG2 GLN 26 HG2 GLN 26 -1.494 -17.984 1.710
200 HG3 GLN 26 HG1 GLN 26 -2.409 -17.608 3.167
201 HE21 GLN 26 1HE2 GLN 26 -3.346 -18.732 0.703
202 HE22 GLN 26 2HE2 GLN 26 -4.548 -17.601 0.142
203 H ARG 27 H ARG 27 1.817 -15.591 2.174
204 HA ARG 27 HA ARG 27 2.174 -13.057 3.389
205 HB2 ARG 27 HB2 ARG 27 4.265 -15.042 2.490
206 HB3 ARG 27 HB1 ARG 27 4.536 -13.705 3.596
207 HG2 ARG 27 HG2 ARG 27 3.026 -14.715 5.212
208 HG3 ARG 27 HG1 ARG 27 2.706 -16.043 4.093
209 HD2 ARG 27 HD2 ARG 27 5.105 -16.608 4.131
210 HD3 ARG 27 HD1 ARG 27 5.361 -15.325 5.312
211 HE ARG 27 HE ARG 27 3.362 -17.113 6.165
212 HH11 ARG 27 HH11 ARG 27 6.880 -16.744 5.932
213 HH12 ARG 27 HH12 ARG 27 7.232 -17.877 7.150
214 HH21 ARG 27 HH21 ARG 27 3.861 -18.720 7.854
215 HH22 ARG 27 HH22 ARG 27 5.483 -19.024 8.242
216 H LYS 28 H LYS 28 2.912 -14.318 0.229
217 HA LYS 28 HA LYS 28 4.425 -12.066 -0.650
218 HB2 LYS 28 HB2 LYS 28 2.968 -14.193 -2.242
219 HB3 LYS 28 HB1 LYS 28 4.090 -13.022 -2.925
220 HG2 LYS 28 HG2 LYS 28 5.914 -13.948 -1.683
221 HG3 LYS 28 HG1 LYS 28 4.824 -15.009 -0.792
222 HD2 LYS 28 HD2 LYS 28 4.264 -16.150 -2.920
223 HD3 LYS 28 HD1 LYS 28 5.428 -15.113 -3.744
224 HE2 LYS 28 HE2 LYS 28 7.232 -15.992 -2.404
225 HE3 LYS 28 HE1 LYS 28 6.094 -16.934 -1.445
226 HZ1 LYS 28 HZ1 LYS 28 6.602 -17.327 -4.346
227 HZ2 LYS 28 HZ2 LYS 28 5.593 -18.270 -3.362
228 HZ3 LYS 28 HZ3 LYS 28 7.249 -18.251 -3.094
229 H CYS 29 H CYS 29 1.071 -13.093 -0.969
230 HA CYS 29 HA CYS 29 -0.030 -11.111 -2.523
231 HB2 CYS 29 HB2 CYS 29 -1.164 -12.505 -0.106
232 HB3 CYS 29 HB1 CYS 29 -2.152 -11.543 -1.181
233 H GLU 30 H GLU 30 0.248 -11.092 1.016
234 HA GLU 30 HA GLU 30 -0.715 -8.468 1.267
235 HB2 GLU 30 HB2 GLU 30 0.232 -8.597 3.612
236 HB3 GLU 30 HB1 GLU 30 -0.944 -9.827 3.181
237 HG2 GLU 30 HG2 GLU 30 0.814 -11.437 2.847
238 HG3 GLU 30 HG1 GLU 30 2.036 -10.211 3.165
239 H GLN 31 H GLN 31 2.521 -9.701 0.742
240 HA GLN 31 HA GLN 31 3.740 -7.214 1.449
241 HB2 GLN 31 HB2 GLN 31 4.967 -9.354 1.625
242 HB3 GLN 31 HB1 GLN 31 4.951 -9.487 -0.130
243 HG2 GLN 31 HG2 GLN 31 6.288 -7.493 -0.339
244 HG3 GLN 31 HG1 GLN 31 6.210 -7.225 1.398
245 HE21 GLN 31 1HE2 GLN 31 7.631 -9.060 -1.146
246 HE22 GLN 31 2HE2 GLN 31 8.868 -9.800 -0.197
247 H VAL 32 H VAL 32 2.939 -8.774 -1.644
248 HA VAL 32 HA VAL 32 4.002 -6.747 -3.286
249 HB VAL 32 HB VAL 32 1.648 -8.588 -3.882
250 HG11 VAL 32 HG11 VAL 32 3.399 -7.026 -5.787
251 HG12 VAL 32 HG12 VAL 32 1.714 -6.677 -5.408
252 HG13 VAL 32 3HG1 VAL 32 2.135 -8.169 -6.249
253 HG21 VAL 32 HG21 VAL 32 3.283 -9.973 -5.066
254 HG22 VAL 32 HG22 VAL 32 3.679 -9.823 -3.354
255 HG23 VAL 32 HG23 VAL 32 4.571 -8.884 -4.553
256 H CYS 33 H CYS 33 0.789 -7.155 -1.878
257 HA CYS 33 HA CYS 33 -0.149 -4.729 -2.965
258 HB2 CYS 33 HB2 CYS 33 -1.241 -6.475 -0.773
259 HB3 CYS 33 HB1 CYS 33 -2.045 -4.999 -1.314
260 H GLU 34 H GLU 34 1.586 -5.478 -0.013
261 HA GLU 34 HA GLU 34 1.190 -3.034 1.304
262 HB2 GLU 34 HB2 GLU 34 2.280 -4.979 2.374
263 HB3 GLU 34 HB1 GLU 34 3.642 -4.804 1.280
264 HG2 GLU 34 HG2 GLU 34 4.106 -2.599 2.232
265 HG3 GLU 34 HG1 GLU 34 2.773 -2.818 3.358
266 H GLU 35 H GLU 35 3.475 -4.093 -1.114
267 HA GLU 35 HA GLU 35 5.036 -1.806 -1.313
268 HB2 GLU 35 HB2 GLU 35 4.323 -3.907 -3.333
269 HB3 GLU 35 HB1 GLU 35 5.482 -2.622 -3.657
270 HG2 GLU 35 HG2 GLU 35 5.698 -4.597 -1.403
271 HG3 GLU 35 HG1 GLU 35 6.554 -4.721 -2.941
272 H ARG 36 H ARG 36 1.943 -2.546 -2.757
273 HA ARG 36 HA ARG 36 1.844 -0.183 -4.407
274 HB2 ARG 36 HB2 ARG 36 0.439 -2.249 -4.799
275 HB3 ARG 36 HB1 ARG 36 -0.487 -1.811 -3.369
276 HG2 ARG 36 HG2 ARG 36 -0.903 0.417 -4.506
277 HG3 ARG 36 HG1 ARG 36 -0.286 -0.344 -5.971
278 HD2 ARG 36 HD2 ARG 36 -2.663 -0.516 -6.007
279 HD3 ARG 36 HD1 ARG 36 -2.010 -2.115 -5.666
280 HE ARG 36 HE ARG 36 -2.814 -2.001 -3.499
281 HH11 ARG 36 HH11 ARG 36 -3.478 1.060 -5.177
282 HH12 ARG 36 HH12 ARG 36 -4.725 1.525 -4.115
283 HH21 ARG 36 HH21 ARG 36 -4.557 -1.356 -2.078
284 HH22 ARG 36 HH22 ARG 36 -5.384 0.119 -2.346
285 H LEU 37 H LEU 37 0.629 -1.189 -1.285
286 HA LEU 37 HA LEU 37 -0.839 1.036 -0.555
287 HB2 LEU 37 HB2 LEU 37 0.385 -1.245 0.792
288 HB3 LEU 37 HB1 LEU 37 0.164 0.164 1.807
289 HG LEU 37 HG LEU 37 -1.677 -1.528 1.893
290 HD11 LEU 37 HD11 LEU 37 -2.371 1.252 0.970
291 HD12 LEU 37 HD12 LEU 37 -1.976 0.763 2.618
292 HD13 LEU 37 HD13 LEU 37 -3.443 0.161 1.846
293 HD21 LEU 37 HD21 LEU 37 -2.252 -0.495 -0.890
294 HD22 LEU 37 HD22 LEU 37 -3.332 -1.505 0.059
295 HD23 LEU 37 HD23 LEU 37 -1.765 -2.133 -0.462
296 H ARG 38 H ARG 38 2.580 0.372 -0.094
297 HA ARG 38 HA ARG 38 3.214 2.633 1.413
298 HB2 ARG 38 HB2 ARG 38 4.937 1.231 -0.630
299 HB3 ARG 38 HB1 ARG 38 5.519 2.428 0.513
300 HG2 ARG 38 HG2 ARG 38 4.394 -0.291 1.148
301 HG3 ARG 38 HG1 ARG 38 6.069 0.239 1.307
302 HD2 ARG 38 HD2 ARG 38 5.295 1.930 2.976
303 HD3 ARG 38 HD1 ARG 38 3.691 1.203 2.889
304 HE ARG 38 HE ARG 38 5.910 -0.536 3.510
305 HH11 ARG 38 HH11 ARG 38 2.985 1.127 4.675
306 HH12 ARG 38 HH12 ARG 38 3.080 0.473 6.239
307 HH21 ARG 38 HH21 ARG 38 5.988 -1.466 5.670
308 HH22 ARG 38 HH22 ARG 38 4.809 -1.037 6.820
309 H GLU 39 H GLU 39 2.913 2.263 -2.060
310 HA GLU 39 HA GLU 39 3.859 4.804 -2.838
311 HB2 GLU 39 HB2 GLU 39 1.761 3.098 -4.176
312 HB3 GLU 39 HB1 GLU 39 2.715 4.356 -4.943
313 HG2 GLU 39 HG2 GLU 39 4.738 3.033 -4.594
314 HG3 GLU 39 HG1 GLU 39 3.781 1.780 -3.806
315 H ARG 40 H ARG 40 0.846 3.649 -1.621
316 HA ARG 40 HA ARG 40 -0.524 6.153 -2.195
317 HB2 ARG 40 HB2 ARG 40 -1.594 3.591 -0.982
318 HB3 ARG 40 HB1 ARG 40 -2.560 4.985 -1.451
319 HG2 ARG 40 HG2 ARG 40 -0.912 3.298 -3.339
320 HG3 ARG 40 HG1 ARG 40 -2.660 3.187 -3.135
321 HD2 ARG 40 HD2 ARG 40 -2.979 5.383 -4.008
322 HD3 ARG 40 HD1 ARG 40 -1.259 5.734 -3.937
323 HE ARG 40 HE ARG 40 -1.421 3.610 -5.598
324 HH11 ARG 40 HH11 ARG 40 -2.986 6.794 -5.566
325 HH12 ARG 40 HH12 ARG 40 -2.979 6.985 -7.253
326 HH21 ARG 40 HH21 ARG 40 -1.394 3.881 -7.939
327 HH22 ARG 40 HH22 ARG 40 -2.073 5.280 -8.633
328 H GLU 41 H GLU 41 1.135 4.659 0.368
329 HA GLU 41 HA GLU 41 -0.057 6.351 2.377
330 HB2 GLU 41 HB2 GLU 41 2.320 4.481 2.516
331 HB3 GLU 41 HB1 GLU 41 1.715 5.400 3.884
332 HG2 GLU 41 HG2 GLU 41 -0.441 4.226 3.691
333 HG3 GLU 41 HG1 GLU 41 0.214 3.283 2.355
334 H GLN 42 H GLN 42 2.735 6.348 0.307
335 HA GLN 42 HA GLN 42 3.863 8.691 1.596
336 HB2 GLN 42 HB2 GLN 42 5.569 8.602 -0.157
337 HB3 GLN 42 HB1 GLN 42 5.359 7.016 0.569
338 HG2 GLN 42 HG2 GLN 42 3.951 6.350 -1.323
339 HG3 GLN 42 HG1 GLN 42 4.212 7.924 -2.060
340 HE21 GLN 42 1HE2 GLN 42 7.006 8.055 -1.279
341 HE22 GLN 42 2HE2 GLN 42 7.829 6.929 -2.292
342 H GLY 43 H GLY 43 1.557 7.978 -0.719
343 HA2 GLY 43 HA2 GLY 43 1.536 10.770 -1.658
344 HA3 GLY 43 HA1 GLY 43 1.053 9.409 -2.662
345 H ARG 44 H ARG 44 0.363 9.851 0.725
346 HA ARG 44 HA ARG 44 -2.424 9.333 0.185
347 HB2 ARG 44 HB2 ARG 44 -2.733 9.218 2.604
348 HB3 ARG 44 HB1 ARG 44 -1.373 8.238 2.101
349 HG2 ARG 44 HG2 ARG 44 0.131 10.101 2.826
350 HG3 ARG 44 HG1 ARG 44 -1.294 10.900 3.497
351 HD2 ARG 44 HD2 ARG 44 -0.222 8.182 4.260
352 HD3 ARG 44 HD1 ARG 44 -0.155 9.643 5.239
353 HE ARG 44 HE ARG 44 -2.766 9.404 4.867
354 HH11 ARG 44 HH11 ARG 44 -0.369 6.972 5.872
355 HH12 ARG 44 HH12 ARG 44 -1.461 6.037 6.738
356 HH21 ARG 44 HH21 ARG 44 -4.292 8.101 6.100
357 HH22 ARG 44 HH22 ARG 44 -3.769 6.689 6.868
358 H GLY 45 H GLY 45 -0.460 12.014 0.606
359 HA2 GLY 45 HA2 GLY 45 -2.841 13.719 0.660
360 HA3 GLY 45 HA1 GLY 45 -1.281 14.197 1.352
361 H GLU 46 H GLU 46 -0.083 15.407 0.094
362 HA GLU 46 HA GLU 46 0.349 14.607 -2.582
363 HB2 GLU 46 HB2 GLU 46 -1.646 16.080 -2.784
364 HB3 GLU 46 HB1 GLU 46 -0.743 17.372 -2.007
365 HG2 GLU 46 HG2 GLU 46 0.756 17.529 -3.837
366 HG3 GLU 46 HG1 GLU 46 0.108 16.058 -4.562
367 H ASP 47 H ASP 47 2.439 15.037 -3.101
368 HA ASP 47 HA ASP 47 3.923 16.958 -1.616
369 HB2 ASP 47 HB2 ASP 47 5.637 15.318 -1.043
370 HB3 ASP 47 HB1 ASP 47 4.117 14.840 -0.302
371 H VAL 48 H VAL 48 6.214 16.678 -2.656
372 HA VAL 48 HA VAL 48 5.669 16.981 -5.488
373 HB VAL 48 HB VAL 48 8.308 17.508 -4.080
374 HG11 VAL 48 HG11 VAL 48 8.551 17.156 -6.485
375 HG12 VAL 48 HG12 VAL 48 8.854 18.842 -6.068
376 HG13 VAL 48 3HG1 VAL 48 7.319 18.377 -6.800
377 HG21 VAL 48 HG21 VAL 48 7.692 19.886 -4.156
378 HG22 VAL 48 HG22 VAL 48 6.555 18.954 -3.179
379 HG23 VAL 48 HG23 VAL 48 6.114 19.452 -4.812
380 H ASP 49 H ASP 49 5.300 14.916 -6.009
381 HA ASP 49 HA ASP 49 7.480 12.985 -5.873
382 HB2 ASP 49 HB2 ASP 49 5.281 12.131 -5.279
383 HB3 ASP 49 HB1 ASP 49 4.601 12.731 -6.784
Start of MODEL 10
1 H PCA 1 H PGL 1 -13.662 7.093 0.587
2 HA PCA 1 HA PGL 1 -14.844 9.289 1.266
3 HB2 PCA 1 HB1 PGL 1 -14.277 10.046 3.349
4 HB3 PCA 1 HB2 PGL 1 -12.543 10.014 2.920
5 HG2 PCA 1 HG1 PGL 1 -14.103 8.030 4.423
6 HG3 PCA 1 HG2 PGL 1 -12.325 8.139 4.173
7 H ARG 2 H ARG 2 -11.374 8.696 1.185
8 HA ARG 2 HA ARG 2 -11.221 10.563 -1.085
9 HB2 ARG 2 HB2 ARG 2 -9.077 9.906 0.943
10 HB3 ARG 2 HB1 ARG 2 -8.811 10.875 -0.492
11 HG2 ARG 2 HG2 ARG 2 -10.643 11.569 1.801
12 HG3 ARG 2 HG1 ARG 2 -9.054 12.266 1.493
13 HD2 ARG 2 HD2 ARG 2 -9.896 13.150 -0.655
14 HD3 ARG 2 HD1 ARG 2 -11.485 12.479 -0.273
15 HE ARG 2 HE ARG 2 -10.331 14.296 1.655
16 HH11 ARG 2 HH11 ARG 2 -12.617 13.904 -1.045
17 HH12 ARG 2 HH12 ARG 2 -13.494 15.310 -0.671
18 HH21 ARG 2 HH21 ARG 2 -11.540 16.238 2.131
19 HH22 ARG 2 HH22 ARG 2 -12.878 16.658 1.161
20 H GLY 3 H GLY 3 -10.425 7.467 0.211
21 HA2 GLY 3 HA2 GLY 3 -10.414 5.781 -1.693
22 HA3 GLY 3 HA1 GLY 3 -9.048 6.740 -2.268
23 H SER 4 H SER 4 -10.097 4.360 -0.071
24 HA SER 4 HA SER 4 -7.726 4.564 1.565
25 HB2 SER 4 HB2 SER 4 -9.818 4.125 2.710
26 HB3 SER 4 HB1 SER 4 -10.103 2.697 1.714
27 HG SER 4 HG SER 4 -8.957 2.740 3.993
28 HA PRO 5 HA PRO 5 -5.833 1.443 -1.078
29 HB2 PRO 5 HB2 PRO 5 -3.461 1.936 0.559
30 HB3 PRO 5 HB1 PRO 5 -3.685 2.197 -1.171
31 HG2 PRO 5 HG2 PRO 5 -3.421 4.229 0.594
32 HG3 PRO 5 HG1 PRO 5 -4.374 4.361 -0.896
33 HD2 PRO 5 HD2 PRO 5 -5.291 3.922 1.914
34 HD3 PRO 5 HD1 PRO 5 -5.997 4.923 0.623
35 H ARG 6 H ARG 6 -6.081 1.841 2.331
36 HA ARG 6 HA ARG 6 -5.003 -0.654 3.145
37 HB2 ARG 6 HB2 ARG 6 -5.201 1.173 4.734
38 HB3 ARG 6 HB1 ARG 6 -6.951 1.172 4.558
39 HG2 ARG 6 HG2 ARG 6 -7.058 -1.069 5.500
40 HG3 ARG 6 HG1 ARG 6 -5.305 -1.089 5.660
41 HD2 ARG 6 HD2 ARG 6 -5.379 0.694 7.255
42 HD3 ARG 6 HD1 ARG 6 -7.115 0.905 7.005
43 HE ARG 6 HE ARG 6 -7.073 -1.595 7.716
44 HH11 ARG 6 HH11 ARG 6 -5.327 1.129 9.154
45 HH12 ARG 6 HH12 ARG 6 -5.297 0.491 10.725
46 HH21 ARG 6 HH21 ARG 6 -7.001 -2.515 9.939
47 HH22 ARG 6 HH22 ARG 6 -6.271 -1.621 11.164
48 H ALA 7 H ALA 7 -8.211 0.472 2.293
49 HA ALA 7 HA ALA 7 -9.721 -1.770 2.918
50 HB1 ALA 7 HB1 ALA 7 -10.022 0.032 0.508
51 HB2 ALA 7 HB2 ALA 7 -10.712 0.324 2.106
52 HB3 ALA 7 HB3 ALA 7 -11.264 -1.047 1.142
53 H GLU 8 H GLU 8 -7.986 -1.040 -0.056
54 HA GLU 8 HA GLU 8 -8.457 -3.450 -1.412
55 HB2 GLU 8 HB2 GLU 8 -6.136 -1.543 -1.584
56 HB3 GLU 8 HB1 GLU 8 -6.456 -2.828 -2.736
57 HG2 GLU 8 HG2 GLU 8 -8.506 -1.791 -3.403
58 HG3 GLU 8 HG1 GLU 8 -8.341 -0.569 -2.139
59 H TYR 9 H TYR 9 -5.864 -2.436 0.757
60 HA TYR 9 HA TYR 9 -4.147 -4.615 0.528
61 HB2 TYR 9 HB2 TYR 9 -3.485 -2.588 1.705
62 HB3 TYR 9 HB1 TYR 9 -4.704 -2.878 2.940
63 HD1 TYR 9 HD1 TYR 9 -1.603 -4.245 1.478
64 HD2 TYR 9 HD2 TYR 9 -4.193 -4.185 4.836
65 HE1 TYR 9 HE1 TYR 9 0.027 -5.556 2.750
66 HE2 TYR 9 HE2 TYR 9 -2.560 -5.493 6.134
67 HH TYR 9 HH TYR 9 0.637 -5.973 5.139
68 H GLU 10 H GLU 10 -6.759 -4.101 2.843
69 HA GLU 10 HA GLU 10 -6.333 -6.541 4.166
70 HB2 GLU 10 HB2 GLU 10 -8.748 -4.733 4.202
71 HB3 GLU 10 HB1 GLU 10 -8.475 -6.064 5.320
72 HG2 GLU 10 HG2 GLU 10 -6.314 -4.926 5.969
73 HG3 GLU 10 HG1 GLU 10 -6.854 -3.544 5.029
74 H VAL 11 H VAL 11 -8.488 -5.637 1.542
75 HA VAL 11 HA VAL 11 -9.796 -8.169 1.507
76 HB VAL 11 HB VAL 11 -9.653 -6.034 -0.659
77 HG11 VAL 11 HG11 VAL 11 -11.643 -7.132 -1.610
78 HG12 VAL 11 HG12 VAL 11 -11.499 -8.414 -0.407
79 HG13 VAL 11 3HG1 VAL 11 -10.238 -8.195 -1.619
80 HG21 VAL 11 HG21 VAL 11 -11.783 -6.634 1.388
81 HG22 VAL 11 HG22 VAL 11 -11.902 -5.426 0.109
82 HG23 VAL 11 HG23 VAL 11 -10.701 -5.243 1.387
83 H CYS 12 H CYS 12 -7.032 -6.784 -0.179
84 HA CYS 12 HA CYS 12 -6.406 -8.689 -2.068
85 HB2 CYS 12 HB2 CYS 12 -5.152 -6.624 -1.911
86 HB3 CYS 12 HB1 CYS 12 -4.598 -7.022 -0.295
87 H ARG 13 H ARG 13 -5.578 -8.685 1.364
88 HA ARG 13 HA ARG 13 -4.111 -11.126 1.307
89 HB2 ARG 13 HB2 ARG 13 -5.563 -9.911 3.674
90 HB3 ARG 13 HB1 ARG 13 -4.257 -11.084 3.739
91 HG2 ARG 13 HG2 ARG 13 -2.724 -9.414 2.790
92 HG3 ARG 13 HG1 ARG 13 -4.043 -8.248 2.749
93 HD2 ARG 13 HD2 ARG 13 -2.782 -7.781 4.705
94 HD3 ARG 13 HD1 ARG 13 -4.272 -8.564 5.223
95 HE ARG 13 HE ARG 13 -2.129 -10.434 4.888
96 HH11 ARG 13 HH11 ARG 13 -3.548 -8.150 7.215
97 HH12 ARG 13 HH12 ARG 13 -2.701 -8.819 8.532
98 HH21 ARG 13 HH21 ARG 13 -1.070 -11.291 6.606
99 HH22 ARG 13 HH22 ARG 13 -1.241 -10.705 8.213
100 H LEU 14 H LEU 14 -7.439 -10.307 2.211
101 HA LEU 14 HA LEU 14 -8.310 -12.813 3.015
102 HB2 LEU 14 HB2 LEU 14 -9.606 -10.807 3.425
103 HB3 LEU 14 HB1 LEU 14 -9.885 -10.604 1.708
104 HG LEU 14 HG LEU 14 -11.163 -12.735 1.697
105 HD11 LEU 14 HD11 LEU 14 -10.826 -12.586 4.676
106 HD12 LEU 14 HD12 LEU 14 -10.184 -13.833 3.603
107 HD13 LEU 14 HD13 LEU 14 -11.924 -13.668 3.829
108 HD21 LEU 14 HD21 LEU 14 -13.157 -11.848 2.770
109 HD22 LEU 14 HD22 LEU 14 -12.310 -10.580 1.880
110 HD23 LEU 14 HD23 LEU 14 -12.179 -10.670 3.639
111 H ARG 15 H ARG 15 -8.550 -11.351 -0.220
112 HA ARG 15 HA ARG 15 -9.955 -13.472 -1.410
113 HB2 ARG 15 HB2 ARG 15 -8.039 -11.554 -2.743
114 HB3 ARG 15 HB1 ARG 15 -9.164 -12.607 -3.585
115 HG2 ARG 15 HG2 ARG 15 -9.860 -10.325 -1.750
116 HG3 ARG 15 HG1 ARG 15 -10.021 -10.351 -3.506
117 HD2 ARG 15 HD2 ARG 15 -11.672 -12.180 -3.293
118 HD3 ARG 15 HD1 ARG 15 -11.509 -12.080 -1.538
119 HE ARG 15 HE ARG 15 -12.265 -9.665 -2.944
120 HH11 ARG 15 HH11 ARG 15 -13.343 -12.400 -0.989
121 HH12 ARG 15 HH12 ARG 15 -14.823 -11.697 -0.532
122 HH21 ARG 15 HH21 ARG 15 -14.275 -8.680 -2.327
123 HH22 ARG 15 HH22 ARG 15 -15.378 -9.514 -1.336
124 H CYS 16 H CYS 16 -6.488 -12.895 -1.145
125 HA CYS 16 HA CYS 16 -5.862 -15.220 -2.602
126 HB2 CYS 16 HB2 CYS 16 -4.209 -13.466 -0.821
127 HB3 CYS 16 HB1 CYS 16 -3.542 -14.856 -1.668
128 H GLN 17 H GLN 17 -6.505 -14.680 0.805
129 HA GLN 17 HA GLN 17 -5.453 -17.184 1.691
130 HB2 GLN 17 HB2 GLN 17 -7.560 -15.404 2.933
131 HB3 GLN 17 HB1 GLN 17 -6.867 -16.813 3.716
132 HG2 GLN 17 HG2 GLN 17 -4.673 -15.750 3.692
133 HG3 GLN 17 HG1 GLN 17 -5.364 -14.345 2.879
134 HE21 GLN 17 1HE2 GLN 17 -5.113 -16.087 5.864
135 HE22 GLN 17 2HE2 GLN 17 -5.827 -14.880 6.866
136 H VAL 18 H VAL 18 -8.356 -16.203 0.197
137 HA VAL 18 HA VAL 18 -9.723 -18.666 0.881
138 HB VAL 18 HB VAL 18 -10.674 -16.244 -0.673
139 HG11 VAL 18 HG11 VAL 18 -11.837 -18.283 -1.384
140 HG12 VAL 18 HG12 VAL 18 -12.904 -17.199 -0.493
141 HG13 VAL 18 3HG1 VAL 18 -12.237 -18.628 0.300
142 HG21 VAL 18 HG21 VAL 18 -10.289 -15.810 1.692
143 HG22 VAL 18 HG22 VAL 18 -11.302 -17.189 2.121
144 HG23 VAL 18 HG23 VAL 18 -12.011 -15.787 1.321
145 H ALA 19 H ALA 19 -8.535 -16.996 -2.021
146 HA ALA 19 HA ALA 19 -9.354 -19.073 -3.787
147 HB1 ALA 19 HB1 ALA 19 -7.295 -16.912 -4.229
148 HB2 ALA 19 HB2 ALA 19 -9.023 -16.755 -4.534
149 HB3 ALA 19 HB3 ALA 19 -8.063 -17.894 -5.478
150 H GLU 20 H GLU 20 -6.272 -18.219 -2.272
151 HA GLU 20 HA GLU 20 -5.097 -20.667 -3.337
152 HB2 GLU 20 HB2 GLU 20 -3.809 -18.202 -2.163
153 HB3 GLU 20 HB1 GLU 20 -2.954 -19.597 -2.800
154 HG2 GLU 20 HG2 GLU 20 -4.742 -17.778 -4.398
155 HG3 GLU 20 HG1 GLU 20 -2.982 -17.704 -4.348
156 H ARG 21 H ARG 21 -4.753 -22.250 -1.923
157 HA ARG 21 HA ARG 21 -5.304 -21.644 0.847
158 HB2 ARG 21 HB2 ARG 21 -4.963 -24.319 -0.487
159 HB3 ARG 21 HB1 ARG 21 -5.322 -24.090 1.216
160 HG2 ARG 21 HG2 ARG 21 -7.427 -22.987 0.625
161 HG3 ARG 21 HG1 ARG 21 -7.070 -23.236 -1.084
162 HD2 ARG 21 HD2 ARG 21 -7.424 -25.387 0.995
163 HD3 ARG 21 HD1 ARG 21 -8.593 -24.946 -0.249
164 HE ARG 21 HE ARG 21 -6.633 -25.544 -1.803
165 HH11 ARG 21 HH11 ARG 21 -7.582 -27.265 1.150
166 HH12 ARG 21 HH12 ARG 21 -6.937 -28.762 0.678
167 HH21 ARG 21 HH21 ARG 21 -5.793 -27.633 -2.488
168 HH22 ARG 21 HH22 ARG 21 -5.904 -28.983 -1.449
169 H GLY 22 H GLY 22 -2.747 -21.738 -1.008
170 HA2 GLY 22 HA2 GLY 22 -0.900 -22.748 1.035
171 HA3 GLY 22 HA1 GLY 22 -0.455 -22.247 -0.595
172 H VAL 23 H VAL 23 0.429 -21.472 2.233
173 HA VAL 23 HA VAL 23 -0.396 -18.765 2.516
174 HB VAL 23 HB VAL 23 0.248 -20.132 4.471
175 HG11 VAL 23 HG11 VAL 23 3.059 -19.887 3.442
176 HG12 VAL 23 HG12 VAL 23 2.108 -21.366 3.575
177 HG13 VAL 23 3HG1 VAL 23 2.595 -20.496 5.030
178 HG21 VAL 23 HG21 VAL 23 0.232 -17.718 4.706
179 HG22 VAL 23 HG22 VAL 23 1.890 -17.620 4.124
180 HG23 VAL 23 HG23 VAL 23 1.545 -18.401 5.665
181 H GLU 24 H GLU 24 2.273 -20.342 0.947
182 HA GLU 24 HA GLU 24 3.948 -18.106 0.663
183 HB2 GLU 24 HB2 GLU 24 3.613 -20.550 -1.062
184 HB3 GLU 24 HB1 GLU 24 4.845 -19.330 -1.339
185 HG2 GLU 24 HG2 GLU 24 4.554 -20.880 1.216
186 HG3 GLU 24 HG1 GLU 24 5.657 -21.305 -0.095
187 H GLN 25 H GLN 25 1.260 -19.242 -1.255
188 HA GLN 25 HA GLN 25 1.436 -17.386 -3.382
189 HB2 GLN 25 HB2 GLN 25 -0.933 -18.824 -2.189
190 HB3 GLN 25 HB1 GLN 25 -0.969 -17.930 -3.703
191 HG2 GLN 25 HG2 GLN 25 0.806 -20.294 -3.168
192 HG3 GLN 25 HG1 GLN 25 -0.757 -20.377 -3.984
193 HE21 GLN 25 1HE2 GLN 25 -0.975 -19.483 -5.984
194 HE22 GLN 25 2HE2 GLN 25 0.372 -19.118 -7.004
195 H GLN 26 H GLN 26 -0.413 -17.444 -0.404
196 HA GLN 26 HA GLN 26 -1.686 -14.917 -0.554
197 HB2 GLN 26 HB2 GLN 26 -0.794 -16.553 1.821
198 HB3 GLN 26 HB1 GLN 26 -1.890 -15.184 1.897
199 HG2 GLN 26 HG2 GLN 26 -3.562 -16.351 0.682
200 HG3 GLN 26 HG1 GLN 26 -2.443 -17.652 0.279
201 HE21 GLN 26 1HE2 GLN 26 -3.976 -19.110 1.192
202 HE22 GLN 26 2HE2 GLN 26 -4.070 -19.310 2.905
203 H ARG 27 H ARG 27 1.422 -15.909 0.741
204 HA ARG 27 HA ARG 27 2.168 -13.531 1.974
205 HB2 ARG 27 HB2 ARG 27 3.296 -15.820 2.116
206 HB3 ARG 27 HB1 ARG 27 4.078 -15.421 0.593
207 HG2 ARG 27 HG2 ARG 27 5.609 -14.924 2.334
208 HG3 ARG 27 HG1 ARG 27 5.005 -13.382 1.716
209 HD2 ARG 27 HD2 ARG 27 4.985 -13.247 4.109
210 HD3 ARG 27 HD1 ARG 27 3.318 -13.403 3.577
211 HE ARG 27 HE ARG 27 4.722 -15.829 4.330
212 HH11 ARG 27 HH11 ARG 27 2.109 -13.510 5.044
213 HH12 ARG 27 HH12 ARG 27 1.593 -14.321 6.437
214 HH21 ARG 27 HH21 ARG 27 4.021 -16.911 6.263
215 HH22 ARG 27 HH22 ARG 27 2.728 -16.279 7.176
216 H LYS 28 H LYS 28 2.648 -14.677 -1.330
217 HA LYS 28 HA LYS 28 4.132 -12.525 -2.358
218 HB2 LYS 28 HB2 LYS 28 2.053 -14.230 -3.748
219 HB3 LYS 28 HB1 LYS 28 3.172 -13.158 -4.566
220 HG2 LYS 28 HG2 LYS 28 3.948 -15.560 -2.920
221 HG3 LYS 28 HG1 LYS 28 3.846 -15.518 -4.679
222 HD2 LYS 28 HD2 LYS 28 5.561 -13.719 -4.679
223 HD3 LYS 28 HD1 LYS 28 5.711 -13.914 -2.933
224 HE2 LYS 28 HE2 LYS 28 6.183 -16.092 -4.957
225 HE3 LYS 28 HE1 LYS 28 7.458 -15.130 -4.222
226 HZ1 LYS 28 HZ1 LYS 28 7.250 -17.206 -3.132
227 HZ2 LYS 28 HZ2 LYS 28 5.604 -17.002 -2.859
228 HZ3 LYS 28 HZ3 LYS 28 6.738 -16.019 -2.052
229 H CYS 29 H CYS 29 0.664 -13.091 -2.262
230 HA CYS 29 HA CYS 29 -0.291 -10.748 -3.379
231 HB2 CYS 29 HB2 CYS 29 -1.376 -12.518 -1.227
232 HB3 CYS 29 HB1 CYS 29 -2.343 -11.235 -1.901
233 H GLU 30 H GLU 30 0.368 -11.452 0.043
234 HA GLU 30 HA GLU 30 -0.379 -8.961 1.065
235 HB2 GLU 30 HB2 GLU 30 1.777 -10.771 2.109
236 HB3 GLU 30 HB1 GLU 30 0.968 -9.493 2.994
237 HG2 GLU 30 HG2 GLU 30 -1.126 -10.769 2.839
238 HG3 GLU 30 HG1 GLU 30 -0.239 -12.063 2.022
239 H GLN 31 H GLN 31 2.814 -10.205 0.185
240 HA GLN 31 HA GLN 31 4.305 -7.990 0.927
241 HB2 GLN 31 HB2 GLN 31 5.219 -10.223 0.328
242 HB3 GLN 31 HB1 GLN 31 4.907 -9.863 -1.363
243 HG2 GLN 31 HG2 GLN 31 7.232 -9.469 -0.898
244 HG3 GLN 31 HG1 GLN 31 6.430 -7.934 -1.194
245 HE21 GLN 31 1HE2 GLN 31 7.952 -6.800 -0.116
246 HE22 GLN 31 2HE2 GLN 31 8.140 -6.804 1.602
247 H VAL 32 H VAL 32 2.928 -8.730 -2.276
248 HA VAL 32 HA VAL 32 3.887 -6.411 -3.552
249 HB VAL 32 HB VAL 32 1.440 -8.081 -4.237
250 HG11 VAL 32 HG11 VAL 32 1.285 -5.862 -5.263
251 HG12 VAL 32 HG12 VAL 32 1.602 -7.096 -6.483
252 HG13 VAL 32 3HG1 VAL 32 2.907 -6.050 -5.929
253 HG21 VAL 32 HG21 VAL 32 2.898 -9.098 -5.927
254 HG22 VAL 32 HG22 VAL 32 3.520 -9.348 -4.296
255 HG23 VAL 32 HG23 VAL 32 4.248 -8.127 -5.341
256 H CYS 33 H CYS 33 0.706 -7.059 -2.041
257 HA CYS 33 HA CYS 33 -0.244 -4.468 -2.594
258 HB2 CYS 33 HB2 CYS 33 -1.214 -6.558 -0.626
259 HB3 CYS 33 HB1 CYS 33 -2.049 -5.031 -0.904
260 H GLU 34 H GLU 34 1.518 -5.792 0.127
261 HA GLU 34 HA GLU 34 1.101 -3.622 1.889
262 HB2 GLU 34 HB2 GLU 34 1.853 -5.990 2.510
263 HB3 GLU 34 HB1 GLU 34 3.407 -5.550 1.864
264 HG2 GLU 34 HG2 GLU 34 3.772 -3.923 3.518
265 HG3 GLU 34 HG1 GLU 34 2.104 -4.036 4.075
266 H GLU 35 H GLU 35 3.675 -4.396 -0.440
267 HA GLU 35 HA GLU 35 5.173 -2.098 0.301
268 HB2 GLU 35 HB2 GLU 35 5.372 -3.850 -2.137
269 HB3 GLU 35 HB1 GLU 35 6.451 -2.499 -1.820
270 HG2 GLU 35 HG2 GLU 35 7.066 -3.576 0.328
271 HG3 GLU 35 HG1 GLU 35 6.101 -4.969 -0.159
272 H ARG 36 H ARG 36 2.542 -2.621 -1.821
273 HA ARG 36 HA ARG 36 2.803 -0.173 -3.296
274 HB2 ARG 36 HB2 ARG 36 1.299 -2.244 -3.823
275 HB3 ARG 36 HB1 ARG 36 0.181 -1.535 -2.668
276 HG2 ARG 36 HG2 ARG 36 0.415 0.594 -4.113
277 HG3 ARG 36 HG1 ARG 36 1.032 -0.509 -5.341
278 HD2 ARG 36 HD2 ARG 36 -1.292 -0.314 -5.758
279 HD3 ARG 36 HD1 ARG 36 -1.085 -1.876 -4.958
280 HE ARG 36 HE ARG 36 -1.537 -0.116 -2.941
281 HH11 ARG 36 HH11 ARG 36 -3.436 -1.109 -5.793
282 HH12 ARG 36 HH12 ARG 36 -4.917 -0.596 -5.115
283 HH21 ARG 36 HH21 ARG 36 -3.535 0.613 -2.114
284 HH22 ARG 36 HH22 ARG 36 -4.987 0.443 -3.029
285 H LEU 37 H LEU 37 1.149 -1.279 -0.406
286 HA LEU 37 HA LEU 37 -0.164 1.075 0.357
287 HB2 LEU 37 HB2 LEU 37 0.626 -1.459 1.638
288 HB3 LEU 37 HB1 LEU 37 0.368 -0.117 2.728
289 HG LEU 37 HG LEU 37 -1.594 -1.665 2.365
290 HD11 LEU 37 HD11 LEU 37 -1.903 1.262 1.773
291 HD12 LEU 37 HD12 LEU 37 -1.853 0.478 3.361
292 HD13 LEU 37 HD13 LEU 37 -3.203 0.170 2.267
293 HD21 LEU 37 HD21 LEU 37 -2.972 -1.230 0.345
294 HD22 LEU 37 HD22 LEU 37 -1.428 -2.002 -0.013
295 HD23 LEU 37 HD23 LEU 37 -1.640 -0.281 -0.321
296 H ARG 38 H ARG 38 2.979 -0.208 1.200
297 HA ARG 38 HA ARG 38 3.930 1.641 2.982
298 HB2 ARG 38 HB2 ARG 38 5.077 -0.439 2.229
299 HB3 ARG 38 HB1 ARG 38 5.512 0.377 0.739
300 HG2 ARG 38 HG2 ARG 38 7.404 0.376 2.220
301 HG3 ARG 38 HG1 ARG 38 6.796 2.025 2.069
302 HD2 ARG 38 HD2 ARG 38 5.639 1.836 4.177
303 HD3 ARG 38 HD1 ARG 38 6.128 0.149 4.335
304 HE ARG 38 HE ARG 38 8.377 1.793 4.037
305 HH11 ARG 38 HH11 ARG 38 5.885 1.011 6.405
306 HH12 ARG 38 HH12 ARG 38 6.842 1.330 7.768
307 HH21 ARG 38 HH21 ARG 38 9.721 2.255 5.915
308 HH22 ARG 38 HH22 ARG 38 9.086 2.051 7.474
309 H GLU 39 H GLU 39 3.855 1.862 -0.541
310 HA GLU 39 HA GLU 39 5.331 4.229 -0.826
311 HB2 GLU 39 HB2 GLU 39 3.186 3.079 -2.597
312 HB3 GLU 39 HB1 GLU 39 4.257 4.400 -3.030
313 HG2 GLU 39 HG2 GLU 39 6.175 2.880 -2.744
314 HG3 GLU 39 HG1 GLU 39 5.042 1.560 -2.450
315 H ARG 40 H ARG 40 1.882 3.691 -0.362
316 HA ARG 40 HA ARG 40 1.322 6.499 -0.778
317 HB2 ARG 40 HB2 ARG 40 -0.230 4.758 -1.582
318 HB3 ARG 40 HB1 ARG 40 -0.515 4.257 0.073
319 HG2 ARG 40 HG2 ARG 40 -2.365 5.594 -0.729
320 HG3 ARG 40 HG1 ARG 40 -1.507 6.449 0.552
321 HD2 ARG 40 HD2 ARG 40 -0.414 7.867 -1.066
322 HD3 ARG 40 HD1 ARG 40 -1.105 6.940 -2.400
323 HE ARG 40 HE ARG 40 -3.178 7.871 -0.775
324 HH11 ARG 40 HH11 ARG 40 -0.786 9.237 -3.002
325 HH12 ARG 40 HH12 ARG 40 -1.818 10.486 -3.541
326 HH21 ARG 40 HH21 ARG 40 -4.560 9.596 -1.500
327 HH22 ARG 40 HH22 ARG 40 -3.982 10.721 -2.659
328 H GLU 41 H GLU 41 1.852 4.374 1.904
329 HA GLU 41 HA GLU 41 0.744 6.271 3.798
330 HB2 GLU 41 HB2 GLU 41 2.172 3.662 4.337
331 HB3 GLU 41 HB1 GLU 41 1.273 4.612 5.508
332 HG2 GLU 41 HG2 GLU 41 0.120 3.225 3.088
333 HG3 GLU 41 HG1 GLU 41 -0.007 2.677 4.755
334 H GLN 42 H GLN 42 3.890 5.424 2.541
335 HA GLN 42 HA GLN 42 5.117 7.188 4.552
336 HB2 GLN 42 HB2 GLN 42 6.215 4.720 3.237
337 HB3 GLN 42 HB1 GLN 42 7.232 5.873 4.090
338 HG2 GLN 42 HG2 GLN 42 4.884 4.457 5.326
339 HG3 GLN 42 HG1 GLN 42 6.556 3.901 5.443
340 HE21 GLN 42 1HE2 GLN 42 4.287 6.378 6.404
341 HE22 GLN 42 2HE2 GLN 42 5.286 7.032 7.655
342 H GLY 43 H GLY 43 4.281 7.132 1.385
343 HA2 GLY 43 HA2 GLY 43 6.253 9.189 0.805
344 HA3 GLY 43 HA1 GLY 43 6.140 7.817 -0.299
345 H ARG 44 H ARG 44 3.830 9.804 1.444
346 HA ARG 44 HA ARG 44 2.179 9.780 -0.922
347 HB2 ARG 44 HB2 ARG 44 0.435 10.781 0.564
348 HB3 ARG 44 HB1 ARG 44 0.977 9.179 1.037
349 HG2 ARG 44 HG2 ARG 44 2.375 10.152 2.775
350 HG3 ARG 44 HG1 ARG 44 1.874 11.770 2.284
351 HD2 ARG 44 HD2 ARG 44 0.656 11.016 4.236
352 HD3 ARG 44 HD1 ARG 44 -0.430 11.233 2.863
353 HE ARG 44 HE ARG 44 0.062 8.633 2.679
354 HH11 ARG 44 HH11 ARG 44 -0.576 10.544 5.586
355 HH12 ARG 44 HH12 ARG 44 -1.398 9.329 6.409
356 HH21 ARG 44 HH21 ARG 44 -1.175 6.882 3.825
357 HH22 ARG 44 HH22 ARG 44 -1.751 7.224 5.369
358 H GLY 45 H GLY 45 1.924 11.425 -2.170
359 HA2 GLY 45 HA2 GLY 45 3.248 13.955 -1.504
360 HA3 GLY 45 HA1 GLY 45 2.684 13.471 -3.098
361 H GLU 46 H GLU 46 0.543 12.861 -0.550
362 HA GLU 46 HA GLU 46 -1.049 15.272 -1.005
363 HB2 GLU 46 HB2 GLU 46 -2.011 12.429 -1.296
364 HB3 GLU 46 HB1 GLU 46 -3.040 13.846 -1.279
365 HG2 GLU 46 HG2 GLU 46 -2.170 14.586 -3.363
366 HG3 GLU 46 HG1 GLU 46 -0.904 13.358 -3.324
367 H ASP 47 H ASP 47 -1.522 15.976 1.076
368 HA ASP 47 HA ASP 47 -2.855 14.252 2.826
369 HB2 ASP 47 HB2 ASP 47 -1.472 14.326 4.648
370 HB3 ASP 47 HB1 ASP 47 -0.349 13.891 3.368
371 H VAL 48 H VAL 48 -4.203 15.445 4.001
372 HA VAL 48 HA VAL 48 -3.851 18.383 3.994
373 HB VAL 48 HB VAL 48 -6.317 18.651 3.715
374 HG11 VAL 48 HG11 VAL 48 -4.993 17.117 1.484
375 HG12 VAL 48 HG12 VAL 48 -4.867 18.852 1.762
376 HG13 VAL 48 3HG1 VAL 48 -6.420 18.140 1.323
377 HG21 VAL 48 HG21 VAL 48 -6.250 15.683 3.195
378 HG22 VAL 48 HG22 VAL 48 -7.633 16.727 2.881
379 HG23 VAL 48 HG23 VAL 48 -7.061 16.493 4.537
380 H ASP 49 H ASP 49 -4.206 15.658 5.778
381 HA ASP 49 HA ASP 49 -5.260 17.041 8.110
382 HB2 ASP 49 HB2 ASP 49 -7.130 15.764 7.193
383 HB3 ASP 49 HB1 ASP 49 -6.123 14.327 7.078
Start of MODEL 11
1 H PCA 1 H PGL 1 -17.641 2.517 3.548
2 HA PCA 1 HA PGL 1 -15.113 2.881 3.870
3 HB2 PCA 1 HB1 PGL 1 -13.991 0.947 4.287
4 HB3 PCA 1 HB2 PGL 1 -14.447 0.340 2.671
5 HG2 PCA 1 HG1 PGL 1 -15.518 -0.469 5.228
6 HG3 PCA 1 HG2 PGL 1 -16.009 -1.022 3.591
7 H ARG 2 H ARG 2 -15.147 4.298 2.273
8 HA ARG 2 HA ARG 2 -15.393 3.254 -0.443
9 HB2 ARG 2 HB2 ARG 2 -17.163 4.894 0.197
10 HB3 ARG 2 HB1 ARG 2 -15.916 6.082 0.520
11 HG2 ARG 2 HG2 ARG 2 -16.931 6.515 -1.637
12 HG3 ARG 2 HG1 ARG 2 -15.256 6.011 -1.855
13 HD2 ARG 2 HD2 ARG 2 -16.006 3.745 -2.381
14 HD3 ARG 2 HD1 ARG 2 -17.683 4.245 -2.171
15 HE ARG 2 HE ARG 2 -16.468 5.907 -4.057
16 HH11 ARG 2 HH11 ARG 2 -17.417 2.515 -3.755
17 HH12 ARG 2 HH12 ARG 2 -17.724 2.272 -5.394
18 HH21 ARG 2 HH21 ARG 2 -16.862 5.607 -6.352
19 HH22 ARG 2 HH22 ARG 2 -17.358 4.096 -6.945
20 H GLY 3 H GLY 3 -13.290 2.772 -0.799
21 HA2 GLY 3 HA2 GLY 3 -11.166 3.256 -1.558
22 HA3 GLY 3 HA1 GLY 3 -11.502 4.965 -1.289
23 H SER 4 H SER 4 -11.938 2.549 1.157
24 HA SER 4 HA SER 4 -10.136 3.991 2.854
25 HB2 SER 4 HB2 SER 4 -11.767 1.502 3.427
26 HB3 SER 4 HB1 SER 4 -11.034 2.582 4.609
27 HG SER 4 HG SER 4 -12.338 4.201 3.237
28 HA PRO 5 HA PRO 5 -6.709 1.726 1.298
29 HB2 PRO 5 HB2 PRO 5 -4.973 2.236 3.382
30 HB3 PRO 5 HB1 PRO 5 -5.283 3.323 2.027
31 HG2 PRO 5 HG2 PRO 5 -6.421 3.359 4.790
32 HG3 PRO 5 HG1 PRO 5 -5.921 4.718 3.771
33 HD2 PRO 5 HD2 PRO 5 -8.490 4.071 4.112
34 HD3 PRO 5 HD1 PRO 5 -7.894 4.688 2.559
35 H ARG 6 H ARG 6 -7.548 1.213 4.683
36 HA ARG 6 HA ARG 6 -5.994 -1.239 4.737
37 HB2 ARG 6 HB2 ARG 6 -7.689 -0.054 6.949
38 HB3 ARG 6 HB1 ARG 6 -6.454 -1.294 7.105
39 HG2 ARG 6 HG2 ARG 6 -5.932 1.537 6.221
40 HG3 ARG 6 HG1 ARG 6 -5.676 0.932 7.852
41 HD2 ARG 6 HD2 ARG 6 -3.935 -0.506 7.136
42 HD3 ARG 6 HD1 ARG 6 -4.327 -0.274 5.429
43 HE ARG 6 HE ARG 6 -3.732 2.192 6.582
44 HH11 ARG 6 HH11 ARG 6 -1.935 -0.786 5.862
45 HH12 ARG 6 HH12 ARG 6 -0.499 0.026 5.422
46 HH21 ARG 6 HH21 ARG 6 -1.814 3.268 5.974
47 HH22 ARG 6 HH22 ARG 6 -0.417 2.454 5.464
48 H ALA 7 H ALA 7 -9.220 -0.211 4.323
49 HA ALA 7 HA ALA 7 -10.506 -2.685 4.836
50 HB1 ALA 7 HB1 ALA 7 -11.316 -0.476 2.943
51 HB2 ALA 7 HB2 ALA 7 -11.762 -0.571 4.648
52 HB3 ALA 7 HB3 ALA 7 -12.362 -1.777 3.508
53 H GLU 8 H GLU 8 -9.512 -1.091 1.844
54 HA GLU 8 HA GLU 8 -9.915 -3.286 0.142
55 HB2 GLU 8 HB2 GLU 8 -8.003 -0.969 -0.192
56 HB3 GLU 8 HB1 GLU 8 -8.497 -2.074 -1.464
57 HG2 GLU 8 HG2 GLU 8 -10.254 -0.135 0.017
58 HG3 GLU 8 HG1 GLU 8 -9.701 0.002 -1.649
59 H TYR 9 H TYR 9 -7.258 -2.342 2.156
60 HA TYR 9 HA TYR 9 -5.142 -3.838 1.193
61 HB2 TYR 9 HB2 TYR 9 -5.015 -2.224 3.054
62 HB3 TYR 9 HB1 TYR 9 -5.867 -3.371 4.080
63 HD1 TYR 9 HD1 TYR 9 -2.770 -2.493 2.526
64 HD2 TYR 9 HD2 TYR 9 -4.721 -5.426 4.842
65 HE1 TYR 9 HE1 TYR 9 -0.635 -3.375 3.108
66 HE2 TYR 9 HE2 TYR 9 -2.580 -6.388 5.476
67 HH TYR 9 HH TYR 9 0.287 -4.745 5.025
68 H GLU 10 H GLU 10 -7.516 -4.798 3.674
69 HA GLU 10 HA GLU 10 -6.496 -7.421 3.727
70 HB2 GLU 10 HB2 GLU 10 -9.126 -6.398 4.760
71 HB3 GLU 10 HB1 GLU 10 -8.496 -8.025 5.027
72 HG2 GLU 10 HG2 GLU 10 -6.504 -6.985 6.093
73 HG3 GLU 10 HG1 GLU 10 -7.339 -5.436 5.996
74 H VAL 11 H VAL 11 -9.026 -5.934 1.852
75 HA VAL 11 HA VAL 11 -10.150 -8.279 0.768
76 HB VAL 11 HB VAL 11 -9.821 -5.572 -0.587
77 HG11 VAL 11 HG11 VAL 11 -11.730 -7.823 -1.226
78 HG12 VAL 11 HG12 VAL 11 -10.350 -7.328 -2.204
79 HG13 VAL 11 3HG1 VAL 11 -11.717 -6.234 -1.991
80 HG21 VAL 11 HG21 VAL 11 -11.022 -5.413 1.529
81 HG22 VAL 11 HG22 VAL 11 -12.137 -6.675 0.999
82 HG23 VAL 11 HG23 VAL 11 -12.095 -5.122 0.162
83 H CYS 12 H CYS 12 -7.348 -6.403 -0.113
84 HA CYS 12 HA CYS 12 -6.516 -7.653 -2.465
85 HB2 CYS 12 HB2 CYS 12 -5.539 -5.562 -1.648
86 HB3 CYS 12 HB1 CYS 12 -4.955 -6.364 -0.207
87 H ARG 13 H ARG 13 -6.040 -8.501 0.905
88 HA ARG 13 HA ARG 13 -4.291 -10.729 0.402
89 HB2 ARG 13 HB2 ARG 13 -5.849 -10.010 2.895
90 HB3 ARG 13 HB1 ARG 13 -4.523 -11.160 2.803
91 HG2 ARG 13 HG2 ARG 13 -2.980 -9.376 2.241
92 HG3 ARG 13 HG1 ARG 13 -4.301 -8.211 2.237
93 HD2 ARG 13 HD2 ARG 13 -3.081 -8.053 4.310
94 HD3 ARG 13 HD1 ARG 13 -4.691 -8.693 4.626
95 HE ARG 13 HE ARG 13 -3.317 -10.938 4.427
96 HH11 ARG 13 HH11 ARG 13 -2.595 -7.988 6.292
97 HH12 ARG 13 HH12 ARG 13 -1.564 -8.791 7.378
98 HH21 ARG 13 HH21 ARG 13 -1.960 -11.990 5.949
99 HH22 ARG 13 HH22 ARG 13 -1.220 -11.110 7.208
100 H LEU 14 H LEU 14 -7.690 -10.265 1.247
101 HA LEU 14 HA LEU 14 -8.496 -12.926 1.475
102 HB2 LEU 14 HB2 LEU 14 -10.109 -10.570 0.483
103 HB3 LEU 14 HB1 LEU 14 -10.770 -12.107 0.988
104 HG LEU 14 HG LEU 14 -9.341 -10.139 2.771
105 HD11 LEU 14 HD11 LEU 14 -11.532 -9.348 2.091
106 HD12 LEU 14 HD12 LEU 14 -11.537 -9.814 3.791
107 HD13 LEU 14 HD13 LEU 14 -12.253 -10.879 2.583
108 HD21 LEU 14 HD21 LEU 14 -8.971 -12.420 3.530
109 HD22 LEU 14 HD22 LEU 14 -10.696 -12.756 3.414
110 HD23 LEU 14 HD23 LEU 14 -10.104 -11.601 4.605
111 H ARG 15 H ARG 15 -8.235 -10.871 -1.375
112 HA ARG 15 HA ARG 15 -9.387 -12.693 -3.180
113 HB2 ARG 15 HB2 ARG 15 -7.426 -10.447 -3.653
114 HB3 ARG 15 HB1 ARG 15 -8.120 -11.400 -4.958
115 HG2 ARG 15 HG2 ARG 15 -10.356 -10.697 -4.292
116 HG3 ARG 15 HG1 ARG 15 -9.671 -9.751 -2.974
117 HD2 ARG 15 HD2 ARG 15 -8.515 -8.341 -4.578
118 HD3 ARG 15 HD1 ARG 15 -9.128 -9.325 -5.910
119 HE ARG 15 HE ARG 15 -11.355 -8.561 -4.580
120 HH11 ARG 15 HH11 ARG 15 -8.715 -6.782 -6.155
121 HH12 ARG 15 HH12 ARG 15 -9.640 -5.383 -6.407
122 HH21 ARG 15 HH21 ARG 15 -12.610 -6.622 -4.968
123 HH22 ARG 15 HH22 ARG 15 -11.900 -5.289 -5.743
124 H CYS 16 H CYS 16 -6.146 -12.484 -1.889
125 HA CYS 16 HA CYS 16 -5.069 -14.377 -3.720
126 HB2 CYS 16 HB2 CYS 16 -4.099 -13.445 -1.029
127 HB3 CYS 16 HB1 CYS 16 -3.193 -14.507 -2.103
128 H GLN 17 H GLN 17 -6.792 -14.545 -0.721
129 HA GLN 17 HA GLN 17 -6.222 -17.279 -0.189
130 HB2 GLN 17 HB2 GLN 17 -8.607 -15.618 0.626
131 HB3 GLN 17 HB1 GLN 17 -8.171 -17.180 1.309
132 HG2 GLN 17 HG2 GLN 17 -6.065 -16.214 2.106
133 HG3 GLN 17 HG1 GLN 17 -6.566 -14.650 1.470
134 HE21 GLN 17 1HE2 GLN 17 -5.951 -15.534 4.163
135 HE22 GLN 17 2HE2 GLN 17 -7.341 -15.151 5.113
136 H VAL 18 H VAL 18 -8.693 -15.546 -1.935
137 HA VAL 18 HA VAL 18 -10.227 -17.779 -2.743
138 HB VAL 18 HB VAL 18 -9.877 -15.092 -4.126
139 HG11 VAL 18 HG11 VAL 18 -12.017 -15.553 -5.214
140 HG12 VAL 18 HG12 VAL 18 -12.064 -17.142 -4.450
141 HG13 VAL 18 3HG1 VAL 18 -10.818 -16.774 -5.642
142 HG21 VAL 18 HG21 VAL 18 -11.968 -16.044 -2.180
143 HG22 VAL 18 HG22 VAL 18 -11.976 -14.492 -3.016
144 HG23 VAL 18 HG23 VAL 18 -10.698 -14.864 -1.857
145 H ALA 19 H ALA 19 -7.375 -16.227 -4.036
146 HA ALA 19 HA ALA 19 -7.125 -17.645 -6.437
147 HB1 ALA 19 HB1 ALA 19 -5.740 -15.680 -5.884
148 HB2 ALA 19 HB2 ALA 19 -4.756 -17.063 -6.359
149 HB3 ALA 19 HB3 ALA 19 -4.906 -16.631 -4.655
150 H GLU 20 H GLU 20 -5.825 -18.371 -3.188
151 HA GLU 20 HA GLU 20 -6.446 -21.069 -3.320
152 HB2 GLU 20 HB2 GLU 20 -4.207 -22.063 -3.397
153 HB3 GLU 20 HB1 GLU 20 -4.570 -21.181 -4.876
154 HG2 GLU 20 HG2 GLU 20 -3.206 -19.305 -4.071
155 HG3 GLU 20 HG1 GLU 20 -2.801 -20.240 -2.631
156 H ARG 21 H ARG 21 -6.272 -21.958 -1.251
157 HA ARG 21 HA ARG 21 -5.532 -19.985 0.734
158 HB2 ARG 21 HB2 ARG 21 -6.881 -22.674 1.179
159 HB3 ARG 21 HB1 ARG 21 -6.397 -21.612 2.486
160 HG2 ARG 21 HG2 ARG 21 -8.722 -21.267 2.163
161 HG3 ARG 21 HG1 ARG 21 -7.921 -19.858 1.469
162 HD2 ARG 21 HD2 ARG 21 -8.065 -20.990 -0.749
163 HD3 ARG 21 HD1 ARG 21 -9.063 -22.228 0.010
164 HE ARG 21 HE ARG 21 -10.207 -19.765 0.567
165 HH11 ARG 21 HH11 ARG 21 -9.535 -21.785 -2.248
166 HH12 ARG 21 HH12 ARG 21 -10.761 -21.118 -3.217
167 HH21 ARG 21 HH21 ARG 21 -11.847 -18.805 -0.769
168 HH22 ARG 21 HH22 ARG 21 -12.125 -19.399 -2.359
169 H GLY 22 H GLY 22 -3.379 -20.079 0.000
170 HA2 GLY 22 HA2 GLY 22 -1.875 -22.166 1.417
171 HA3 GLY 22 HA1 GLY 22 -1.344 -21.444 -0.101
172 H VAL 23 H VAL 23 -0.282 -21.503 2.726
173 HA VAL 23 HA VAL 23 -0.503 -18.903 3.794
174 HB VAL 23 HB VAL 23 1.616 -21.000 4.341
175 HG11 VAL 23 HG11 VAL 23 2.327 -18.774 5.060
176 HG12 VAL 23 HG12 VAL 23 1.988 -19.820 6.436
177 HG13 VAL 23 3HG1 VAL 23 0.823 -18.583 5.961
178 HG21 VAL 23 HG21 VAL 23 -0.630 -21.800 4.810
179 HG22 VAL 23 HG22 VAL 23 -0.948 -20.368 5.793
180 HG23 VAL 23 HG23 VAL 23 0.272 -21.536 6.300
181 H GLU 24 H GLU 24 2.001 -20.409 1.778
182 HA GLU 24 HA GLU 24 3.901 -18.335 1.916
183 HB2 GLU 24 HB2 GLU 24 3.415 -20.169 -0.432
184 HB3 GLU 24 HB1 GLU 24 4.872 -19.269 -0.074
185 HG2 GLU 24 HG2 GLU 24 5.284 -20.587 1.876
186 HG3 GLU 24 HG1 GLU 24 3.750 -21.433 1.655
187 H GLN 25 H GLN 25 1.334 -18.968 -0.391
188 HA GLN 25 HA GLN 25 1.797 -16.812 -2.120
189 HB2 GLN 25 HB2 GLN 25 -0.703 -18.356 -1.495
190 HB3 GLN 25 HB1 GLN 25 -0.636 -17.117 -2.740
191 HG2 GLN 25 HG2 GLN 25 1.138 -19.541 -2.664
192 HG3 GLN 25 HG1 GLN 25 -0.356 -19.422 -3.596
193 HE21 GLN 25 1HE2 GLN 25 2.940 -18.339 -3.308
194 HE22 GLN 25 2HE2 GLN 25 3.023 -17.630 -4.878
195 H GLN 26 H GLN 26 -0.169 -17.041 0.770
196 HA GLN 26 HA GLN 26 -1.141 -14.387 0.524
197 HB2 GLN 26 HB2 GLN 26 -1.148 -16.309 2.844
198 HB3 GLN 26 HB1 GLN 26 -1.961 -14.744 2.854
199 HG2 GLN 26 HG2 GLN 26 -3.378 -15.399 1.031
200 HG3 GLN 26 HG1 GLN 26 -2.497 -16.910 0.842
201 HE21 GLN 26 1HE2 GLN 26 -4.344 -18.102 1.101
202 HE22 GLN 26 2HE2 GLN 26 -5.103 -18.295 2.647
203 H ARG 27 H ARG 27 1.609 -15.854 2.143
204 HA ARG 27 HA ARG 27 2.488 -13.567 3.532
205 HB2 ARG 27 HB2 ARG 27 4.085 -15.837 2.350
206 HB3 ARG 27 HB1 ARG 27 4.785 -14.575 3.343
207 HG2 ARG 27 HG2 ARG 27 3.423 -15.285 5.227
208 HG3 ARG 27 HG1 ARG 27 2.674 -16.534 4.220
209 HD2 ARG 27 HD2 ARG 27 4.854 -17.551 3.851
210 HD3 ARG 27 HD1 ARG 27 5.617 -16.314 4.847
211 HE ARG 27 HE ARG 27 3.743 -17.432 6.455
212 HH11 ARG 27 HH11 ARG 27 6.423 -18.744 4.550
213 HH12 ARG 27 HH12 ARG 27 6.776 -20.001 5.635
214 HH21 ARG 27 HH21 ARG 27 4.193 -19.222 7.943
215 HH22 ARG 27 HH22 ARG 27 5.475 -20.282 7.607
216 H LYS 28 H LYS 28 2.770 -14.531 0.203
217 HA LYS 28 HA LYS 28 4.598 -12.477 -0.569
218 HB2 LYS 28 HB2 LYS 28 2.508 -13.852 -2.285
219 HB3 LYS 28 HB1 LYS 28 3.902 -12.961 -2.866
220 HG2 LYS 28 HG2 LYS 28 3.972 -15.546 -1.324
221 HG3 LYS 28 HG1 LYS 28 4.220 -15.367 -3.059
222 HD2 LYS 28 HD2 LYS 28 6.205 -14.028 -2.651
223 HD3 LYS 28 HD1 LYS 28 5.943 -14.138 -0.908
224 HE2 LYS 28 HE2 LYS 28 6.218 -16.549 -1.005
225 HE3 LYS 28 HE1 LYS 28 6.427 -16.474 -2.750
226 HZ1 LYS 28 HZ1 LYS 28 8.540 -16.644 -1.673
227 HZ2 LYS 28 HZ2 LYS 28 8.234 -15.307 -0.708
228 HZ3 LYS 28 HZ3 LYS 28 8.424 -15.116 -2.371
229 H CYS 29 H CYS 29 1.114 -12.878 -0.716
230 HA CYS 29 HA CYS 29 0.513 -10.420 -1.837
231 HB2 CYS 29 HB2 CYS 29 -1.150 -12.284 -0.207
232 HB3 CYS 29 HB1 CYS 29 -1.800 -10.826 -0.945
233 H GLU 30 H GLU 30 0.654 -11.258 1.641
234 HA GLU 30 HA GLU 30 -0.343 -8.831 2.569
235 HB2 GLU 30 HB2 GLU 30 0.908 -9.275 4.668
236 HB3 GLU 30 HB1 GLU 30 0.016 -10.679 4.107
237 HG2 GLU 30 HG2 GLU 30 2.040 -11.648 3.227
238 HG3 GLU 30 HG1 GLU 30 2.949 -10.215 3.678
239 H GLN 31 H GLN 31 2.850 -9.679 1.453
240 HA GLN 31 HA GLN 31 4.014 -7.176 2.165
241 HB2 GLN 31 HB2 GLN 31 5.349 -9.231 1.965
242 HB3 GLN 31 HB1 GLN 31 4.978 -9.293 0.247
243 HG2 GLN 31 HG2 GLN 31 6.087 -7.125 -0.045
244 HG3 GLN 31 HG1 GLN 31 6.510 -7.143 1.664
245 HE21 GLN 31 1HE2 GLN 31 8.116 -7.092 -0.713
246 HE22 GLN 31 2HE2 GLN 31 9.209 -8.434 -0.574
247 H VAL 32 H VAL 32 2.802 -8.658 -0.825
248 HA VAL 32 HA VAL 32 3.360 -6.584 -2.608
249 HB VAL 32 HB VAL 32 1.018 -8.528 -2.658
250 HG11 VAL 32 HG11 VAL 32 0.779 -8.006 -5.038
251 HG12 VAL 32 HG12 VAL 32 2.040 -6.786 -4.909
252 HG13 VAL 32 3HG1 VAL 32 0.513 -6.565 -4.055
253 HG21 VAL 32 HG21 VAL 32 3.204 -9.599 -2.771
254 HG22 VAL 32 HG22 VAL 32 3.657 -8.556 -4.120
255 HG23 VAL 32 HG23 VAL 32 2.358 -9.732 -4.311
256 H CYS 33 H CYS 33 0.441 -7.105 -0.678
257 HA CYS 33 HA CYS 33 -0.869 -4.766 -1.528
258 HB2 CYS 33 HB2 CYS 33 -1.226 -6.140 1.153
259 HB3 CYS 33 HB1 CYS 33 -2.398 -5.139 0.312
260 H GLU 34 H GLU 34 1.375 -5.430 1.164
261 HA GLU 34 HA GLU 34 1.092 -2.927 2.450
262 HB2 GLU 34 HB2 GLU 34 1.978 -4.954 3.541
263 HB3 GLU 34 HB1 GLU 34 3.404 -4.858 2.523
264 HG2 GLU 34 HG2 GLU 34 4.062 -2.796 3.557
265 HG3 GLU 34 HG1 GLU 34 2.562 -2.746 4.484
266 H GLU 35 H GLU 35 3.575 -4.103 0.179
267 HA GLU 35 HA GLU 35 4.991 -1.676 0.116
268 HB2 GLU 35 HB2 GLU 35 4.817 -3.881 -1.938
269 HB3 GLU 35 HB1 GLU 35 5.885 -2.498 -2.099
270 HG2 GLU 35 HG2 GLU 35 6.962 -3.160 0.042
271 HG3 GLU 35 HG1 GLU 35 5.964 -4.613 0.040
272 H ARG 36 H ARG 36 2.175 -2.754 -1.600
273 HA ARG 36 HA ARG 36 2.218 -0.591 -3.446
274 HB2 ARG 36 HB2 ARG 36 1.085 -2.801 -3.824
275 HB3 ARG 36 HB1 ARG 36 -0.148 -2.291 -2.682
276 HG2 ARG 36 HG2 ARG 36 -0.824 -0.501 -4.099
277 HG3 ARG 36 HG1 ARG 36 0.536 -0.781 -5.189
278 HD2 ARG 36 HD2 ARG 36 -1.376 -1.764 -6.198
279 HD3 ARG 36 HD1 ARG 36 -0.368 -3.064 -5.577
280 HE ARG 36 HE ARG 36 -2.584 -2.076 -3.982
281 HH11 ARG 36 HH11 ARG 36 -1.102 -4.744 -5.817
282 HH12 ARG 36 HH12 ARG 36 -2.309 -5.873 -5.415
283 HH21 ARG 36 HH21 ARG 36 -4.306 -3.641 -3.529
284 HH22 ARG 36 HH22 ARG 36 -4.167 -5.232 -4.125
285 H LEU 37 H LEU 37 0.580 -1.202 -0.346
286 HA LEU 37 HA LEU 37 -0.739 1.284 -0.401
287 HB2 LEU 37 HB2 LEU 37 -0.306 -0.726 1.704
288 HB3 LEU 37 HB1 LEU 37 -0.626 0.911 2.238
289 HG LEU 37 HG LEU 37 -2.620 0.830 0.690
290 HD11 LEU 37 HD11 LEU 37 -3.649 -1.389 0.382
291 HD12 LEU 37 HD12 LEU 37 -2.053 -2.088 0.739
292 HD13 LEU 37 HD13 LEU 37 -2.261 -1.014 -0.632
293 HD21 LEU 37 HD21 LEU 37 -3.992 -0.271 2.442
294 HD22 LEU 37 HD22 LEU 37 -2.870 0.988 2.958
295 HD23 LEU 37 HD23 LEU 37 -2.461 -0.698 3.247
296 H ARG 38 H ARG 38 2.338 0.309 0.830
297 HA ARG 38 HA ARG 38 3.334 2.570 2.043
298 HB2 ARG 38 HB2 ARG 38 4.564 0.516 1.740
299 HB3 ARG 38 HB1 ARG 38 4.548 0.722 0.004
300 HG2 ARG 38 HG2 ARG 38 5.944 2.779 0.359
301 HG3 ARG 38 HG1 ARG 38 6.120 2.255 2.041
302 HD2 ARG 38 HD2 ARG 38 7.985 1.420 0.715
303 HD3 ARG 38 HD1 ARG 38 6.949 0.102 1.277
304 HE ARG 38 HE ARG 38 6.005 0.817 -1.217
305 HH11 ARG 38 HH11 ARG 38 8.982 -0.609 0.066
306 HH12 ARG 38 HH12 ARG 38 9.349 -1.438 -1.381
307 HH21 ARG 38 HH21 ARG 38 6.559 -0.309 -3.234
308 HH22 ARG 38 HH22 ARG 38 7.983 -1.239 -3.240
309 H GLU 39 H GLU 39 3.216 1.806 -1.401
310 HA GLU 39 HA GLU 39 4.144 4.321 -2.331
311 HB2 GLU 39 HB2 GLU 39 2.842 1.986 -3.701
312 HB3 GLU 39 HB1 GLU 39 3.425 3.411 -4.551
313 HG2 GLU 39 HG2 GLU 39 5.673 2.979 -3.885
314 HG3 GLU 39 HG1 GLU 39 5.156 1.696 -2.796
315 H ARG 40 H ARG 40 1.057 3.214 -1.345
316 HA ARG 40 HA ARG 40 -0.393 5.152 -2.938
317 HB2 ARG 40 HB2 ARG 40 -1.276 2.870 -2.552
318 HB3 ARG 40 HB1 ARG 40 -1.337 3.211 -0.833
319 HG2 ARG 40 HG2 ARG 40 -3.037 4.882 -1.182
320 HG3 ARG 40 HG1 ARG 40 -2.927 4.668 -2.931
321 HD2 ARG 40 HD2 ARG 40 -3.612 2.321 -2.677
322 HD3 ARG 40 HD1 ARG 40 -3.757 2.560 -0.937
323 HE ARG 40 HE ARG 40 -5.384 4.439 -1.822
324 HH11 ARG 40 HH11 ARG 40 -5.174 1.038 -2.873
325 HH12 ARG 40 HH12 ARG 40 -6.816 0.971 -3.311
326 HH21 ARG 40 HH21 ARG 40 -7.525 4.315 -2.451
327 HH22 ARG 40 HH22 ARG 40 -8.202 2.878 -3.104
328 H GLU 41 H GLU 41 0.408 4.556 0.479
329 HA GLU 41 HA GLU 41 -0.988 6.906 1.326
330 HB2 GLU 41 HB2 GLU 41 -0.255 6.363 3.587
331 HB3 GLU 41 HB1 GLU 41 -0.942 4.959 2.799
332 HG2 GLU 41 HG2 GLU 41 1.215 3.981 2.493
333 HG3 GLU 41 HG1 GLU 41 2.018 5.463 3.003
334 H GLN 42 H GLN 42 2.420 5.996 0.938
335 HA GLN 42 HA GLN 42 3.276 8.608 1.859
336 HB2 GLN 42 HB2 GLN 42 4.456 6.455 2.415
337 HB3 GLN 42 HB1 GLN 42 4.890 6.327 0.720
338 HG2 GLN 42 HG2 GLN 42 6.167 8.392 0.892
339 HG3 GLN 42 HG1 GLN 42 5.710 8.532 2.586
340 HE21 GLN 42 1HE2 GLN 42 6.505 5.486 1.032
341 HE22 GLN 42 2HE2 GLN 42 7.968 5.228 1.902
342 H GLY 43 H GLY 43 2.580 6.921 -1.005
343 HA2 GLY 43 HA2 GLY 43 3.822 8.923 -2.740
344 HA3 GLY 43 HA1 GLY 43 3.046 7.426 -3.266
345 H ARG 44 H ARG 44 2.315 10.289 -1.508
346 HA ARG 44 HA ARG 44 -0.445 10.361 -1.523
347 HB2 ARG 44 HB2 ARG 44 1.449 12.706 -1.613
348 HB3 ARG 44 HB1 ARG 44 -0.204 12.730 -1.018
349 HG2 ARG 44 HG2 ARG 44 0.348 11.350 0.839
350 HG3 ARG 44 HG1 ARG 44 1.939 10.991 0.180
351 HD2 ARG 44 HD2 ARG 44 1.000 13.714 1.087
352 HD3 ARG 44 HD1 ARG 44 2.054 12.635 2.004
353 HE ARG 44 HE ARG 44 2.926 13.399 -0.666
354 HH11 ARG 44 HH11 ARG 44 3.351 13.948 2.832
355 HH12 ARG 44 HH12 ARG 44 4.864 14.703 2.598
356 HH21 ARG 44 HH21 ARG 44 4.946 14.424 -0.886
357 HH22 ARG 44 HH22 ARG 44 5.783 14.990 0.496
358 H GLY 45 H GLY 45 -1.634 10.110 -3.351
359 HA2 GLY 45 HA2 GLY 45 -1.328 12.116 -5.462
360 HA3 GLY 45 HA1 GLY 45 -1.420 10.409 -5.888
361 H GLU 46 H GLU 46 -3.357 10.789 -7.057
362 HA GLU 46 HA GLU 46 -5.645 11.943 -5.780
363 HB2 GLU 46 HB2 GLU 46 -5.495 10.377 -8.368
364 HB3 GLU 46 HB1 GLU 46 -6.921 11.198 -7.781
365 HG2 GLU 46 HG2 GLU 46 -6.002 12.538 -9.483
366 HG3 GLU 46 HG1 GLU 46 -5.618 13.344 -7.968
367 H ASP 47 H ASP 47 -6.054 10.709 -3.981
368 HA ASP 47 HA ASP 47 -7.073 8.012 -4.600
369 HB2 ASP 47 HB2 ASP 47 -5.266 7.954 -2.936
370 HB3 ASP 47 HB1 ASP 47 -6.172 9.066 -1.910
371 H VAL 48 H VAL 48 -7.683 10.748 -2.463
372 HA VAL 48 HA VAL 48 -10.540 10.330 -2.916
373 HB VAL 48 HB VAL 48 -9.844 9.463 -0.683
374 HG11 VAL 48 HG11 VAL 48 -9.184 10.960 1.127
375 HG12 VAL 48 HG12 VAL 48 -9.055 12.278 -0.035
376 HG13 VAL 48 3HG1 VAL 48 -7.990 10.878 -0.171
377 HG21 VAL 48 HG21 VAL 48 -12.130 10.215 -0.931
378 HG22 VAL 48 HG22 VAL 48 -11.661 11.869 -0.550
379 HG23 VAL 48 HG23 VAL 48 -11.555 10.618 0.687
380 H ASP 49 H ASP 49 -8.696 11.943 -4.255
381 HA ASP 49 HA ASP 49 -8.866 14.642 -3.302
382 HB2 ASP 49 HB2 ASP 49 -6.868 13.891 -4.511
383 HB3 ASP 49 HB1 ASP 49 -7.848 13.574 -5.939
Start of MODEL 12
1 H PCA 1 H PGL 1 -13.270 5.637 6.103
2 HA PCA 1 HA PGL 1 -11.616 4.076 7.215
3 HB2 PCA 1 HB1 PGL 1 -12.432 3.154 9.127
4 HB3 PCA 1 HB2 PGL 1 -13.582 2.193 8.155
5 HG2 PCA 1 HG1 PGL 1 -14.103 4.578 9.761
6 HG3 PCA 1 HG2 PGL 1 -15.268 3.519 8.892
7 H ARG 2 H ARG 2 -14.503 3.683 5.425
8 HA ARG 2 HA ARG 2 -13.743 1.106 4.381
9 HB2 ARG 2 HB2 ARG 2 -15.750 1.268 2.952
10 HB3 ARG 2 HB1 ARG 2 -16.098 1.501 4.655
11 HG2 ARG 2 HG2 ARG 2 -16.314 3.875 4.334
12 HG3 ARG 2 HG1 ARG 2 -15.812 3.724 2.648
13 HD2 ARG 2 HD2 ARG 2 -18.252 2.451 3.867
14 HD3 ARG 2 HD1 ARG 2 -18.264 3.920 2.890
15 HE ARG 2 HE ARG 2 -17.214 2.422 1.130
16 HH11 ARG 2 HH11 ARG 2 -19.607 1.261 3.486
17 HH12 ARG 2 HH12 ARG 2 -20.235 0.045 2.477
18 HH21 ARG 2 HH21 ARG 2 -18.093 0.720 -0.274
19 HH22 ARG 2 HH22 ARG 2 -19.330 -0.283 0.298
20 H GLY 3 H GLY 3 -13.054 4.296 3.627
21 HA2 GLY 3 HA2 GLY 3 -12.170 3.540 0.926
22 HA3 GLY 3 HA1 GLY 3 -12.483 5.190 1.460
23 H SER 4 H SER 4 -10.934 3.037 3.605
24 HA SER 4 HA SER 4 -8.574 4.677 3.576
25 HB2 SER 4 HB2 SER 4 -9.597 4.029 5.727
26 HB3 SER 4 HB1 SER 4 -9.369 2.329 5.331
27 HG SER 4 HG SER 4 -7.691 3.994 6.517
28 HA PRO 5 HA PRO 5 -6.147 2.035 0.908
29 HB2 PRO 5 HB2 PRO 5 -3.983 2.518 2.874
30 HB3 PRO 5 HB1 PRO 5 -3.998 2.796 1.133
31 HG2 PRO 5 HG2 PRO 5 -4.149 4.804 2.869
32 HG3 PRO 5 HG1 PRO 5 -5.044 4.838 1.335
33 HD2 PRO 5 HD2 PRO 5 -6.012 4.358 4.103
34 HD3 PRO 5 HD1 PRO 5 -6.818 5.142 2.729
35 H ARG 6 H ARG 6 -6.168 1.639 4.356
36 HA ARG 6 HA ARG 6 -4.855 -0.877 4.453
37 HB2 ARG 6 HB2 ARG 6 -5.607 -1.055 6.752
38 HB3 ARG 6 HB1 ARG 6 -5.051 0.576 6.426
39 HG2 ARG 6 HG2 ARG 6 -7.408 1.273 6.157
40 HG3 ARG 6 HG1 ARG 6 -7.902 -0.350 6.644
41 HD2 ARG 6 HD2 ARG 6 -7.986 1.086 8.565
42 HD3 ARG 6 HD1 ARG 6 -6.642 -0.037 8.752
43 HE ARG 6 HE ARG 6 -5.762 2.357 7.544
44 HH11 ARG 6 HH11 ARG 6 -6.711 1.040 10.680
45 HH12 ARG 6 HH12 ARG 6 -5.809 2.171 11.581
46 HH21 ARG 6 HH21 ARG 6 -4.543 3.914 8.767
47 HH22 ARG 6 HH22 ARG 6 -4.574 3.879 10.470
48 H ALA 7 H ALA 7 -8.042 -0.008 3.533
49 HA ALA 7 HA ALA 7 -9.200 -2.581 3.982
50 HB1 ALA 7 HB1 ALA 7 -10.621 -0.575 3.825
51 HB2 ALA 7 HB2 ALA 7 -11.049 -1.750 2.581
52 HB3 ALA 7 HB3 ALA 7 -10.090 -0.330 2.161
53 H GLU 8 H GLU 8 -7.731 -0.833 1.268
54 HA GLU 8 HA GLU 8 -8.020 -2.749 -0.754
55 HB2 GLU 8 HB2 GLU 8 -5.672 -0.913 -0.280
56 HB3 GLU 8 HB1 GLU 8 -6.017 -1.757 -1.771
57 HG2 GLU 8 HG2 GLU 8 -8.035 -0.425 -2.047
58 HG3 GLU 8 HG1 GLU 8 -7.673 0.420 -0.535
59 H TYR 9 H TYR 9 -5.665 -2.277 1.739
60 HA TYR 9 HA TYR 9 -3.743 -4.158 1.052
61 HB2 TYR 9 HB2 TYR 9 -3.470 -2.431 2.786
62 HB3 TYR 9 HB1 TYR 9 -4.608 -3.296 3.808
63 HD1 TYR 9 HD1 TYR 9 -3.826 -4.860 5.314
64 HD2 TYR 9 HD2 TYR 9 -1.392 -3.755 2.026
65 HE1 TYR 9 HE1 TYR 9 -2.013 -6.181 6.244
66 HE2 TYR 9 HE2 TYR 9 0.452 -5.060 2.927
67 HH TYR 9 HH TYR 9 1.220 -5.892 5.024
68 H GLU 10 H GLU 10 -6.390 -4.521 3.392
69 HA GLU 10 HA GLU 10 -5.901 -7.260 3.778
70 HB2 GLU 10 HB2 GLU 10 -8.191 -5.495 4.510
71 HB3 GLU 10 HB1 GLU 10 -8.153 -7.220 4.901
72 HG2 GLU 10 HG2 GLU 10 -6.115 -5.190 5.776
73 HG3 GLU 10 HG1 GLU 10 -7.453 -5.784 6.760
74 H VAL 11 H VAL 11 -8.234 -5.576 1.683
75 HA VAL 11 HA VAL 11 -9.631 -7.911 0.929
76 HB VAL 11 HB VAL 11 -9.247 -5.328 -0.651
77 HG11 VAL 11 HG11 VAL 11 -11.184 -6.022 -1.992
78 HG12 VAL 11 HG12 VAL 11 -11.235 -7.559 -1.131
79 HG13 VAL 11 3HG1 VAL 11 -9.857 -7.174 -2.161
80 HG21 VAL 11 HG21 VAL 11 -11.516 -4.812 0.115
81 HG22 VAL 11 HG22 VAL 11 -10.411 -5.038 1.471
82 HG23 VAL 11 HG23 VAL 11 -11.547 -6.316 1.035
83 H CYS 12 H CYS 12 -6.738 -6.433 -0.302
84 HA CYS 12 HA CYS 12 -6.296 -8.023 -2.558
85 HB2 CYS 12 HB2 CYS 12 -5.112 -5.915 -2.058
86 HB3 CYS 12 HB1 CYS 12 -4.333 -6.680 -0.691
87 H ARG 13 H ARG 13 -5.727 -8.593 0.833
88 HA ARG 13 HA ARG 13 -4.132 -10.970 0.446
89 HB2 ARG 13 HB2 ARG 13 -5.477 -9.901 2.930
90 HB3 ARG 13 HB1 ARG 13 -4.230 -11.137 2.886
91 HG2 ARG 13 HG2 ARG 13 -2.627 -9.510 2.054
92 HG3 ARG 13 HG1 ARG 13 -3.884 -8.276 2.013
93 HD2 ARG 13 HD2 ARG 13 -2.611 -7.927 3.990
94 HD3 ARG 13 HD1 ARG 13 -4.160 -8.605 4.478
95 HE ARG 13 HE ARG 13 -2.205 -10.609 4.088
96 HH11 ARG 13 HH11 ARG 13 -3.497 -8.303 6.483
97 HH12 ARG 13 HH12 ARG 13 -2.640 -9.006 7.785
98 HH21 ARG 13 HH21 ARG 13 -1.025 -11.507 5.881
99 HH22 ARG 13 HH22 ARG 13 -1.243 -10.867 7.455
100 H LEU 14 H LEU 14 -7.437 -10.123 1.368
101 HA LEU 14 HA LEU 14 -8.446 -12.652 1.939
102 HB2 LEU 14 HB2 LEU 14 -9.877 -10.303 0.704
103 HB3 LEU 14 HB1 LEU 14 -10.677 -11.725 1.333
104 HG LEU 14 HG LEU 14 -9.065 -9.747 2.952
105 HD11 LEU 14 HD11 LEU 14 -11.217 -9.137 3.930
106 HD12 LEU 14 HD12 LEU 14 -12.034 -10.243 2.826
107 HD13 LEU 14 HD13 LEU 14 -11.189 -8.830 2.194
108 HD21 LEU 14 HD21 LEU 14 -9.949 -10.979 4.898
109 HD22 LEU 14 HD22 LEU 14 -8.890 -11.971 3.905
110 HD23 LEU 14 HD23 LEU 14 -10.640 -12.179 3.805
111 H ARG 15 H ARG 15 -8.183 -11.013 -1.170
112 HA ARG 15 HA ARG 15 -9.537 -12.849 -2.783
113 HB2 ARG 15 HB2 ARG 15 -7.045 -11.288 -3.492
114 HB3 ARG 15 HB1 ARG 15 -8.102 -12.075 -4.652
115 HG2 ARG 15 HG2 ARG 15 -8.856 -9.791 -2.838
116 HG3 ARG 15 HG1 ARG 15 -8.474 -9.669 -4.554
117 HD2 ARG 15 HD2 ARG 15 -10.397 -11.081 -5.084
118 HD3 ARG 15 HD1 ARG 15 -10.767 -11.233 -3.366
119 HE ARG 15 HE ARG 15 -10.610 -8.536 -4.035
120 HH11 ARG 15 HH11 ARG 15 -12.700 -11.284 -4.758
121 HH12 ARG 15 HH12 ARG 15 -14.134 -10.363 -4.860
122 HH21 ARG 15 HH21 ARG 15 -12.616 -7.251 -4.185
123 HH22 ARG 15 HH22 ARG 15 -14.083 -8.048 -4.493
124 H CYS 16 H CYS 16 -6.129 -12.820 -1.830
125 HA CYS 16 HA CYS 16 -5.488 -15.191 -3.190
126 HB2 CYS 16 HB2 CYS 16 -4.093 -13.764 -0.938
127 HB3 CYS 16 HB1 CYS 16 -3.420 -15.157 -1.773
128 H GLN 17 H GLN 17 -6.506 -14.573 0.142
129 HA GLN 17 HA GLN 17 -6.039 -17.171 1.109
130 HB2 GLN 17 HB2 GLN 17 -8.025 -15.089 2.006
131 HB3 GLN 17 HB1 GLN 17 -7.736 -16.592 2.872
132 HG2 GLN 17 HG2 GLN 17 -5.413 -15.970 3.210
133 HG3 GLN 17 HG1 GLN 17 -5.670 -14.485 2.301
134 HE21 GLN 17 1HE2 GLN 17 -6.779 -12.824 3.236
135 HE22 GLN 17 2HE2 GLN 17 -7.096 -12.754 4.925
136 H VAL 18 H VAL 18 -8.662 -15.924 -0.772
137 HA VAL 18 HA VAL 18 -10.300 -18.250 -0.310
138 HB VAL 18 HB VAL 18 -10.653 -15.989 -2.293
139 HG11 VAL 18 HG11 VAL 18 -11.847 -17.979 -3.039
140 HG12 VAL 18 HG12 VAL 18 -12.986 -16.751 -2.485
141 HG13 VAL 18 3HG1 VAL 18 -12.610 -18.134 -1.456
142 HG21 VAL 18 HG21 VAL 18 -10.760 -15.208 -0.006
143 HG22 VAL 18 HG22 VAL 18 -11.917 -16.472 0.400
144 HG23 VAL 18 HG23 VAL 18 -12.371 -15.190 -0.726
145 H ALA 19 H ALA 19 -8.409 -16.957 -3.046
146 HA ALA 19 HA ALA 19 -9.038 -19.315 -4.615
147 HB1 ALA 19 HB1 ALA 19 -7.327 -16.965 -5.359
148 HB2 ALA 19 HB2 ALA 19 -9.057 -17.120 -5.678
149 HB3 ALA 19 HB3 ALA 19 -7.914 -18.220 -6.450
150 H GLU 20 H GLU 20 -6.080 -17.824 -3.341
151 HA GLU 20 HA GLU 20 -4.517 -20.149 -4.195
152 HB2 GLU 20 HB2 GLU 20 -3.637 -17.455 -3.120
153 HB3 GLU 20 HB1 GLU 20 -2.576 -18.720 -3.715
154 HG2 GLU 20 HG2 GLU 20 -4.643 -17.332 -5.397
155 HG3 GLU 20 HG1 GLU 20 -2.959 -16.829 -5.288
156 H ARG 21 H ARG 21 -5.209 -21.563 -2.545
157 HA ARG 21 HA ARG 21 -4.990 -20.587 0.156
158 HB2 ARG 21 HB2 ARG 21 -6.051 -23.206 -0.858
159 HB3 ARG 21 HB1 ARG 21 -6.020 -22.727 0.838
160 HG2 ARG 21 HG2 ARG 21 -7.367 -20.753 0.274
161 HG3 ARG 21 HG1 ARG 21 -7.469 -21.328 -1.387
162 HD2 ARG 21 HD2 ARG 21 -9.463 -21.893 -0.136
163 HD3 ARG 21 HD1 ARG 21 -8.588 -23.350 -0.606
164 HE ARG 21 HE ARG 21 -8.190 -23.816 1.548
165 HH11 ARG 21 HH11 ARG 21 -9.086 -20.376 1.458
166 HH12 ARG 21 HH12 ARG 21 -9.620 -20.333 3.070
167 HH21 ARG 21 HH21 ARG 21 -8.937 -23.717 3.795
168 HH22 ARG 21 HH22 ARG 21 -9.551 -22.267 4.428
169 H GLY 22 H GLY 22 -2.698 -20.404 -0.548
170 HA2 GLY 22 HA2 GLY 22 -1.278 -22.610 0.727
171 HA3 GLY 22 HA1 GLY 22 -0.623 -21.756 -0.675
172 H VAL 23 H VAL 23 0.155 -21.947 2.228
173 HA VAL 23 HA VAL 23 -0.340 -19.456 3.460
174 HB VAL 23 HB VAL 23 2.000 -21.313 3.961
175 HG11 VAL 23 HG11 VAL 23 2.349 -19.087 4.891
176 HG12 VAL 23 HG12 VAL 23 2.085 -20.271 6.172
177 HG13 VAL 23 3HG1 VAL 23 0.786 -19.177 5.703
178 HG21 VAL 23 HG21 VAL 23 -0.705 -21.198 5.289
179 HG22 VAL 23 HG22 VAL 23 0.641 -22.219 5.787
180 HG23 VAL 23 HG23 VAL 23 -0.128 -22.474 4.219
181 H GLU 24 H GLU 24 2.463 -20.649 1.659
182 HA GLU 24 HA GLU 24 3.890 -18.237 1.909
183 HB2 GLU 24 HB2 GLU 24 5.335 -19.124 0.088
184 HB3 GLU 24 HB1 GLU 24 5.149 -20.207 1.460
185 HG2 GLU 24 HG2 GLU 24 3.561 -21.524 0.210
186 HG3 GLU 24 HG1 GLU 24 3.694 -20.419 -1.159
187 H GLN 25 H GLN 25 1.586 -19.369 -0.404
188 HA GLN 25 HA GLN 25 2.011 -17.478 -2.459
189 HB2 GLN 25 HB2 GLN 25 -0.615 -18.723 -1.629
190 HB3 GLN 25 HB1 GLN 25 -0.296 -17.938 -3.164
191 HG2 GLN 25 HG2 GLN 25 1.404 -19.682 -3.628
192 HG3 GLN 25 HG1 GLN 25 0.904 -20.488 -2.139
193 HE21 GLN 25 1HE2 GLN 25 0.038 -19.678 -5.366
194 HE22 GLN 25 2HE2 GLN 25 -1.334 -20.714 -5.489
195 H GLN 26 H GLN 26 -0.154 -17.469 0.299
196 HA GLN 26 HA GLN 26 -1.233 -14.907 -0.153
197 HB2 GLN 26 HB2 GLN 26 -1.089 -16.641 2.298
198 HB3 GLN 26 HB1 GLN 26 -2.014 -15.143 2.211
199 HG2 GLN 26 HG2 GLN 26 -3.463 -16.005 0.573
200 HG3 GLN 26 HG1 GLN 26 -2.406 -17.376 0.253
201 HE21 GLN 26 1HE2 GLN 26 -4.096 -18.758 0.578
202 HE22 GLN 26 2HE2 GLN 26 -4.670 -19.162 2.161
203 H ARG 27 H ARG 27 1.533 -16.040 1.709
204 HA ARG 27 HA ARG 27 2.111 -13.526 2.839
205 HB2 ARG 27 HB2 ARG 27 3.957 -15.859 2.315
206 HB3 ARG 27 HB1 ARG 27 4.434 -14.418 3.202
207 HG2 ARG 27 HG2 ARG 27 2.621 -14.876 4.832
208 HG3 ARG 27 HG1 ARG 27 2.282 -16.374 3.971
209 HD2 ARG 27 HD2 ARG 27 4.558 -17.145 4.418
210 HD3 ARG 27 HD1 ARG 27 4.898 -15.650 5.283
211 HE ARG 27 HE ARG 27 2.622 -16.881 6.362
212 HH11 ARG 27 HH11 ARG 27 6.141 -17.278 6.298
213 HH12 ARG 27 HH12 ARG 27 6.224 -18.115 7.781
214 HH21 ARG 27 HH21 ARG 27 2.747 -18.022 8.407
215 HH22 ARG 27 HH22 ARG 27 4.247 -18.525 9.022
216 H LYS 28 H LYS 28 2.945 -14.960 -0.237
217 HA LYS 28 HA LYS 28 4.703 -12.894 -1.094
218 HB2 LYS 28 HB2 LYS 28 2.919 -14.686 -2.773
219 HB3 LYS 28 HB1 LYS 28 4.234 -13.696 -3.384
220 HG2 LYS 28 HG2 LYS 28 4.556 -15.974 -1.454
221 HG3 LYS 28 HG1 LYS 28 4.788 -16.086 -3.195
222 HD2 LYS 28 HD2 LYS 28 6.604 -14.464 -3.067
223 HD3 LYS 28 HD1 LYS 28 6.341 -14.293 -1.328
224 HE2 LYS 28 HE2 LYS 28 6.903 -16.614 -0.976
225 HE3 LYS 28 HE1 LYS 28 7.055 -16.865 -2.712
226 HZ1 LYS 28 HZ1 LYS 28 8.751 -15.028 -1.124
227 HZ2 LYS 28 HZ2 LYS 28 8.943 -15.429 -2.760
228 HZ3 LYS 28 HZ3 LYS 28 9.185 -16.590 -1.573
229 H CYS 29 H CYS 29 1.232 -13.434 -1.388
230 HA CYS 29 HA CYS 29 0.531 -11.227 -2.911
231 HB2 CYS 29 HB2 CYS 29 -1.012 -12.628 -0.742
232 HB3 CYS 29 HB1 CYS 29 -1.707 -11.391 -1.775
233 H GLU 30 H GLU 30 0.539 -11.449 0.674
234 HA GLU 30 HA GLU 30 -0.246 -8.788 1.016
235 HB2 GLU 30 HB2 GLU 30 0.519 -9.046 3.381
236 HB3 GLU 30 HB1 GLU 30 -0.605 -10.271 2.825
237 HG2 GLU 30 HG2 GLU 30 1.273 -11.787 2.467
238 HG3 GLU 30 HG1 GLU 30 2.367 -10.570 3.125
239 H GLN 31 H GLN 31 2.827 -10.014 0.228
240 HA GLN 31 HA GLN 31 4.308 -7.725 1.084
241 HB2 GLN 31 HB2 GLN 31 5.406 -9.896 0.629
242 HB3 GLN 31 HB1 GLN 31 4.938 -9.774 -1.060
243 HG2 GLN 31 HG2 GLN 31 6.334 -7.794 -1.313
244 HG3 GLN 31 HG1 GLN 31 6.792 -7.895 0.385
245 HE21 GLN 31 1HE2 GLN 31 8.423 -7.994 -2.002
246 HE22 GLN 31 2HE2 GLN 31 9.295 -9.479 -1.930
247 H VAL 32 H VAL 32 3.037 -8.846 -2.026
248 HA VAL 32 HA VAL 32 3.632 -6.620 -3.626
249 HB VAL 32 HB VAL 32 1.316 -8.572 -3.839
250 HG11 VAL 32 HG11 VAL 32 0.875 -6.578 -5.182
251 HG12 VAL 32 HG12 VAL 32 1.209 -7.972 -6.209
252 HG13 VAL 32 3HG1 VAL 32 2.450 -6.746 -5.958
253 HG21 VAL 32 HG21 VAL 32 3.462 -9.673 -3.873
254 HG22 VAL 32 HG22 VAL 32 4.027 -8.566 -5.126
255 HG23 VAL 32 HG23 VAL 32 2.730 -9.707 -5.479
256 H CYS 33 H CYS 33 0.766 -7.418 -1.750
257 HA CYS 33 HA CYS 33 -0.830 -5.228 -2.417
258 HB2 CYS 33 HB2 CYS 33 -0.774 -6.672 0.239
259 HB3 CYS 33 HB1 CYS 33 -2.115 -5.753 -0.421
260 H GLU 34 H GLU 34 1.716 -5.598 0.021
261 HA GLU 34 HA GLU 34 1.059 -3.191 1.357
262 HB2 GLU 34 HB2 GLU 34 2.270 -5.297 2.282
263 HB3 GLU 34 HB1 GLU 34 3.691 -4.600 1.546
264 HG2 GLU 34 HG2 GLU 34 3.656 -2.714 2.937
265 HG3 GLU 34 HG1 GLU 34 2.019 -3.063 3.496
266 H GLU 35 H GLU 35 3.081 -4.077 -1.317
267 HA GLU 35 HA GLU 35 4.764 -1.819 -1.386
268 HB2 GLU 35 HB2 GLU 35 3.729 -3.421 -3.737
269 HB3 GLU 35 HB1 GLU 35 5.141 -2.371 -3.743
270 HG2 GLU 35 HG2 GLU 35 6.179 -3.829 -2.050
271 HG3 GLU 35 HG1 GLU 35 4.794 -4.902 -2.167
272 H ARG 36 H ARG 36 1.565 -2.421 -2.655
273 HA ARG 36 HA ARG 36 1.217 0.084 -3.970
274 HB2 ARG 36 HB2 ARG 36 -0.199 -1.862 -4.493
275 HB3 ARG 36 HB1 ARG 36 -0.854 -1.838 -2.864
276 HG2 ARG 36 HG2 ARG 36 -1.913 0.299 -3.280
277 HG3 ARG 36 HG1 ARG 36 -1.178 0.378 -4.879
278 HD2 ARG 36 HD2 ARG 36 -3.467 -0.325 -5.104
279 HD3 ARG 36 HD1 ARG 36 -2.398 -1.665 -5.501
280 HE ARG 36 HE ARG 36 -3.303 -1.654 -2.776
281 HH11 ARG 36 HH11 ARG 36 -3.973 -2.778 -6.075
282 HH12 ARG 36 HH12 ARG 36 -5.099 -3.964 -5.640
283 HH21 ARG 36 HH21 ARG 36 -4.948 -3.350 -2.142
284 HH22 ARG 36 HH22 ARG 36 -5.683 -4.252 -3.364
285 H LEU 37 H LEU 37 0.620 -1.130 -0.770
286 HA LEU 37 HA LEU 37 -0.760 1.098 0.228
287 HB2 LEU 37 HB2 LEU 37 0.523 -1.290 1.370
288 HB3 LEU 37 HB1 LEU 37 0.292 0.059 2.457
289 HG LEU 37 HG LEU 37 -1.526 -1.687 2.480
290 HD11 LEU 37 HD11 LEU 37 -3.312 -0.029 2.598
291 HD12 LEU 37 HD12 LEU 37 -2.275 1.139 1.782
292 HD13 LEU 37 HD13 LEU 37 -1.839 0.535 3.379
293 HD21 LEU 37 HD21 LEU 37 -2.234 -0.453 -0.191
294 HD22 LEU 37 HD22 LEU 37 -3.233 -1.581 0.721
295 HD23 LEU 37 HD23 LEU 37 -1.682 -2.108 0.068
296 H ARG 38 H ARG 38 2.646 0.398 -0.008
297 HA ARG 38 HA ARG 38 3.536 2.562 1.572
298 HB2 ARG 38 HB2 ARG 38 4.882 1.319 -0.842
299 HB3 ARG 38 HB1 ARG 38 5.667 2.378 0.318
300 HG2 ARG 38 HG2 ARG 38 4.538 -0.362 0.867
301 HG3 ARG 38 HG1 ARG 38 6.245 0.084 0.784
302 HD2 ARG 38 HD2 ARG 38 6.003 1.510 2.718
303 HD3 ARG 38 HD1 ARG 38 4.271 1.202 2.771
304 HE ARG 38 HE ARG 38 5.866 -1.150 2.941
305 HH11 ARG 38 HH11 ARG 38 4.313 1.477 4.762
306 HH12 ARG 38 HH12 ARG 38 4.400 0.681 6.252
307 HH21 ARG 38 HH21 ARG 38 5.913 -2.287 5.015
308 HH22 ARG 38 HH22 ARG 38 5.326 -1.485 6.400
309 H GLU 39 H GLU 39 2.509 2.345 -1.735
310 HA GLU 39 HA GLU 39 3.179 5.023 -2.445
311 HB2 GLU 39 HB2 GLU 39 1.109 3.191 -3.647
312 HB3 GLU 39 HB1 GLU 39 1.798 4.622 -4.400
313 HG2 GLU 39 HG2 GLU 39 3.964 3.579 -4.490
314 HG3 GLU 39 HG1 GLU 39 3.342 2.168 -3.632
315 H ARG 40 H ARG 40 0.497 3.451 -0.913
316 HA ARG 40 HA ARG 40 -1.345 5.647 -1.123
317 HB2 ARG 40 HB2 ARG 40 -1.365 3.295 0.765
318 HB3 ARG 40 HB1 ARG 40 -2.679 4.433 0.545
319 HG2 ARG 40 HG2 ARG 40 -1.610 2.528 -1.520
320 HG3 ARG 40 HG1 ARG 40 -3.110 2.337 -0.624
321 HD2 ARG 40 HD2 ARG 40 -3.822 4.554 -1.642
322 HD3 ARG 40 HD1 ARG 40 -2.412 4.394 -2.696
323 HE ARG 40 HE ARG 40 -4.538 2.389 -2.509
324 HH11 ARG 40 HH11 ARG 40 -2.456 4.438 -4.534
325 HH12 ARG 40 HH12 ARG 40 -2.897 3.653 -5.981
326 HH21 ARG 40 HH21 ARG 40 -5.186 1.434 -4.456
327 HH22 ARG 40 HH22 ARG 40 -4.551 1.942 -5.971
328 H GLU 41 H GLU 41 1.213 4.775 1.011
329 HA GLU 41 HA GLU 41 0.429 6.614 3.079
330 HB2 GLU 41 HB2 GLU 41 3.057 5.224 2.576
331 HB3 GLU 41 HB1 GLU 41 2.674 6.160 4.012
332 HG2 GLU 41 HG2 GLU 41 0.863 4.549 4.504
333 HG3 GLU 41 HG1 GLU 41 1.390 3.593 3.117
334 H GLN 42 H GLN 42 2.324 6.618 0.206
335 HA GLN 42 HA GLN 42 3.503 9.202 0.774
336 HB2 GLN 42 HB2 GLN 42 4.739 7.442 -0.474
337 HB3 GLN 42 HB1 GLN 42 3.549 7.543 -1.762
338 HG2 GLN 42 HG2 GLN 42 5.564 8.760 -2.344
339 HG3 GLN 42 HG1 GLN 42 4.195 9.859 -2.175
340 HE21 GLN 42 1HE2 GLN 42 5.425 11.632 -1.734
341 HE22 GLN 42 2HE2 GLN 42 6.303 11.832 -0.271
342 H GLY 43 H GLY 43 0.743 7.899 -0.761
343 HA2 GLY 43 HA2 GLY 43 -0.282 10.549 -1.246
344 HA3 GLY 43 HA1 GLY 43 -0.146 9.495 -2.653
345 H ARG 44 H ARG 44 -1.950 10.333 0.016
346 HA ARG 44 HA ARG 44 -3.361 7.865 0.398
347 HB2 ARG 44 HB2 ARG 44 -4.033 10.645 1.329
348 HB3 ARG 44 HB1 ARG 44 -4.812 9.171 1.871
349 HG2 ARG 44 HG2 ARG 44 -2.681 8.405 2.791
350 HG3 ARG 44 HG1 ARG 44 -1.929 9.917 2.282
351 HD2 ARG 44 HD2 ARG 44 -2.548 10.022 4.628
352 HD3 ARG 44 HD1 ARG 44 -3.501 11.161 3.681
353 HE ARG 44 HE ARG 44 -5.224 9.256 3.704
354 HH11 ARG 44 HH11 ARG 44 -3.036 9.992 6.409
355 HH12 ARG 44 HH12 ARG 44 -4.146 9.497 7.589
356 HH21 ARG 44 HH21 ARG 44 -6.705 8.528 5.355
357 HH22 ARG 44 HH22 ARG 44 -6.230 8.633 6.995
358 H GLY 45 H GLY 45 -4.557 11.019 -0.539
359 HA2 GLY 45 HA2 GLY 45 -6.513 9.689 -2.286
360 HA3 GLY 45 HA1 GLY 45 -6.955 11.030 -1.235
361 H GLU 46 H GLU 46 -4.704 10.168 -3.773
362 HA GLU 46 HA GLU 46 -4.088 12.912 -4.339
363 HB2 GLU 46 HB2 GLU 46 -3.284 10.360 -5.708
364 HB3 GLU 46 HB1 GLU 46 -2.667 11.950 -6.130
365 HG2 GLU 46 HG2 GLU 46 -1.715 12.185 -3.915
366 HG3 GLU 46 HG1 GLU 46 -2.379 10.619 -3.450
367 H ASP 47 H ASP 47 -6.719 11.271 -4.998
368 HA ASP 47 HA ASP 47 -7.191 12.370 -7.668
369 HB2 ASP 47 HB2 ASP 47 -8.903 10.634 -5.874
370 HB3 ASP 47 HB1 ASP 47 -9.431 11.250 -7.432
371 H VAL 48 H VAL 48 -7.329 13.301 -4.518
372 HA VAL 48 HA VAL 48 -9.446 15.266 -5.026
373 HB VAL 48 HB VAL 48 -8.727 14.040 -2.337
374 HG11 VAL 48 HG11 VAL 48 -9.486 16.336 -2.131
375 HG12 VAL 48 HG12 VAL 48 -10.701 15.230 -1.489
376 HG13 VAL 48 3HG1 VAL 48 -10.927 15.966 -3.076
377 HG21 VAL 48 HG21 VAL 48 -10.942 12.966 -2.402
378 HG22 VAL 48 HG22 VAL 48 -9.909 12.411 -3.721
379 HG23 VAL 48 HG23 VAL 48 -11.185 13.586 -4.037
380 H ASP 49 H ASP 49 -8.347 17.071 -5.427
381 HA ASP 49 HA ASP 49 -6.170 17.801 -3.616
382 HB2 ASP 49 HB2 ASP 49 -6.246 18.197 -6.617
383 HB3 ASP 49 HB1 ASP 49 -5.102 18.996 -5.550
Start of MODEL 13
1 H PCA 1 H PGL 1 -12.849 9.562 0.169
2 HA PCA 1 HA PGL 1 -11.396 10.380 -1.710
3 HB2 PCA 1 HB1 PGL 1 -9.213 10.009 -1.210
4 HB3 PCA 1 HB2 PGL 1 -9.448 8.316 -1.724
5 HG2 PCA 1 HG1 PGL 1 -9.099 9.351 0.976
6 HG3 PCA 1 HG2 PGL 1 -9.280 7.645 0.434
7 H ARG 2 H ARG 2 -13.156 7.853 -0.942
8 HA ARG 2 HA ARG 2 -14.215 6.171 -1.920
9 HB2 ARG 2 HB2 ARG 2 -14.777 7.881 -3.675
10 HB3 ARG 2 HB1 ARG 2 -13.354 7.381 -4.574
11 HG2 ARG 2 HG2 ARG 2 -15.319 6.378 -5.555
12 HG3 ARG 2 HG1 ARG 2 -14.340 5.119 -4.800
13 HD2 ARG 2 HD2 ARG 2 -15.794 5.205 -2.819
14 HD3 ARG 2 HD1 ARG 2 -16.793 6.415 -3.621
15 HE ARG 2 HE ARG 2 -16.664 4.227 -5.305
16 HH11 ARG 2 HH11 ARG 2 -17.892 4.917 -2.044
17 HH12 ARG 2 HH12 ARG 2 -19.091 3.717 -2.101
18 HH21 ARG 2 HH21 ARG 2 -18.350 2.579 -5.362
19 HH22 ARG 2 HH22 ARG 2 -19.349 2.375 -3.994
20 H GLY 3 H GLY 3 -12.767 4.806 -0.989
21 HA2 GLY 3 HA2 GLY 3 -11.849 2.635 -1.880
22 HA3 GLY 3 HA1 GLY 3 -10.720 3.670 -2.753
23 H SER 4 H SER 4 -11.400 2.133 0.202
24 HA SER 4 HA SER 4 -9.497 3.746 1.690
25 HB2 SER 4 HB2 SER 4 -11.001 1.290 2.600
26 HB3 SER 4 HB1 SER 4 -10.241 2.515 3.604
27 HG SER 4 HG SER 4 -11.930 3.712 1.925
28 HA PRO 5 HA PRO 5 -6.435 1.033 -0.113
29 HB2 PRO 5 HB2 PRO 5 -4.268 2.033 1.237
30 HB3 PRO 5 HB1 PRO 5 -4.977 2.762 -0.207
31 HG2 PRO 5 HG2 PRO 5 -5.381 3.475 2.666
32 HG3 PRO 5 HG1 PRO 5 -5.185 4.538 1.261
33 HD2 PRO 5 HD2 PRO 5 -7.576 4.060 2.353
34 HD3 PRO 5 HD1 PRO 5 -7.382 4.286 0.603
35 H ARG 6 H ARG 6 -6.659 1.337 3.418
36 HA ARG 6 HA ARG 6 -4.934 -0.973 3.771
37 HB2 ARG 6 HB2 ARG 6 -4.862 0.877 5.422
38 HB3 ARG 6 HB1 ARG 6 -6.531 0.563 5.852
39 HG2 ARG 6 HG2 ARG 6 -5.885 -1.674 6.648
40 HG3 ARG 6 HG1 ARG 6 -4.203 -1.293 6.279
41 HD2 ARG 6 HD2 ARG 6 -4.685 -0.927 8.642
42 HD3 ARG 6 HD1 ARG 6 -4.283 0.586 7.834
43 HE ARG 6 HE ARG 6 -7.094 0.039 7.921
44 HH11 ARG 6 HH11 ARG 6 -4.404 1.483 9.687
45 HH12 ARG 6 HH12 ARG 6 -5.359 2.498 10.648
46 HH21 ARG 6 HH21 ARG 6 -8.455 1.421 9.258
47 HH22 ARG 6 HH22 ARG 6 -7.726 2.451 10.399
48 H ALA 7 H ALA 7 -8.273 -0.211 3.661
49 HA ALA 7 HA ALA 7 -9.283 -2.699 4.563
50 HB1 ALA 7 HB1 ALA 7 -10.464 -0.747 2.581
51 HB2 ALA 7 HB2 ALA 7 -10.718 -0.711 4.328
52 HB3 ALA 7 HB3 ALA 7 -11.341 -2.056 3.368
53 H GLU 8 H GLU 8 -8.466 -1.383 1.389
54 HA GLU 8 HA GLU 8 -9.033 -3.679 -0.127
55 HB2 GLU 8 HB2 GLU 8 -7.030 -1.508 -0.761
56 HB3 GLU 8 HB1 GLU 8 -7.741 -2.635 -1.908
57 HG2 GLU 8 HG2 GLU 8 -9.964 -1.679 -1.379
58 HG3 GLU 8 HG1 GLU 8 -9.161 -0.481 -0.371
59 H TYR 9 H TYR 9 -6.177 -2.656 1.600
60 HA TYR 9 HA TYR 9 -4.307 -4.509 0.705
61 HB2 TYR 9 HB2 TYR 9 -3.685 -2.697 2.222
62 HB3 TYR 9 HB1 TYR 9 -4.704 -3.370 3.484
63 HD1 TYR 9 HD1 TYR 9 -1.657 -3.985 1.497
64 HD2 TYR 9 HD2 TYR 9 -3.880 -5.016 4.955
65 HE1 TYR 9 HE1 TYR 9 0.226 -5.290 2.299
66 HE2 TYR 9 HE2 TYR 9 -2.007 -6.341 5.789
67 HH TYR 9 HH TYR 9 1.140 -6.192 4.466
68 H GLU 10 H GLU 10 -6.592 -4.775 3.373
69 HA GLU 10 HA GLU 10 -5.976 -7.454 3.987
70 HB2 GLU 10 HB2 GLU 10 -8.339 -5.711 4.627
71 HB3 GLU 10 HB1 GLU 10 -8.135 -7.349 5.251
72 HG2 GLU 10 HG2 GLU 10 -6.117 -5.168 5.662
73 HG3 GLU 10 HG1 GLU 10 -7.431 -5.492 6.789
74 H VAL 11 H VAL 11 -8.325 -5.948 1.857
75 HA VAL 11 HA VAL 11 -9.789 -8.250 1.144
76 HB VAL 11 HB VAL 11 -9.176 -5.790 -0.548
77 HG11 VAL 11 HG11 VAL 11 -11.282 -7.905 -0.954
78 HG12 VAL 11 HG12 VAL 11 -9.857 -7.653 -1.963
79 HG13 VAL 11 3HG1 VAL 11 -11.120 -6.422 -1.894
80 HG21 VAL 11 HG21 VAL 11 -10.383 -5.251 1.485
81 HG22 VAL 11 HG22 VAL 11 -11.582 -6.490 1.125
82 HG23 VAL 11 HG23 VAL 11 -11.438 -5.071 0.084
83 H CYS 12 H CYS 12 -6.885 -6.817 -0.237
84 HA CYS 12 HA CYS 12 -6.285 -8.501 -2.330
85 HB2 CYS 12 HB2 CYS 12 -4.962 -6.539 -1.947
86 HB3 CYS 12 HB1 CYS 12 -4.511 -7.075 -0.337
87 H ARG 13 H ARG 13 -5.592 -8.932 1.088
88 HA ARG 13 HA ARG 13 -4.155 -11.374 0.783
89 HB2 ARG 13 HB2 ARG 13 -5.520 -10.268 3.242
90 HB3 ARG 13 HB1 ARG 13 -4.260 -11.495 3.209
91 HG2 ARG 13 HG2 ARG 13 -2.669 -9.887 2.352
92 HG3 ARG 13 HG1 ARG 13 -3.926 -8.654 2.278
93 HD2 ARG 13 HD2 ARG 13 -2.636 -8.272 4.242
94 HD3 ARG 13 HD1 ARG 13 -4.207 -8.895 4.737
95 HE ARG 13 HE ARG 13 -2.247 -10.950 4.460
96 HH11 ARG 13 HH11 ARG 13 -3.600 -8.510 6.689
97 HH12 ARG 13 HH12 ARG 13 -2.875 -9.215 8.061
98 HH21 ARG 13 HH21 ARG 13 -1.254 -11.861 6.343
99 HH22 ARG 13 HH22 ARG 13 -1.507 -11.168 7.876
100 H LEU 14 H LEU 14 -7.442 -10.492 1.693
101 HA LEU 14 HA LEU 14 -8.470 -12.992 2.336
102 HB2 LEU 14 HB2 LEU 14 -9.551 -10.821 2.804
103 HB3 LEU 14 HB1 LEU 14 -9.908 -10.651 1.103
104 HG LEU 14 HG LEU 14 -11.350 -12.677 1.240
105 HD11 LEU 14 HD11 LEU 14 -10.856 -12.452 4.196
106 HD12 LEU 14 HD12 LEU 14 -10.352 -13.776 3.143
107 HD13 LEU 14 HD13 LEU 14 -12.065 -13.479 3.428
108 HD21 LEU 14 HD21 LEU 14 -13.197 -11.570 2.392
109 HD22 LEU 14 HD22 LEU 14 -12.304 -10.438 1.373
110 HD23 LEU 14 HD23 LEU 14 -12.062 -10.434 3.121
111 H ARG 15 H ARG 15 -8.269 -11.384 -0.781
112 HA ARG 15 HA ARG 15 -9.725 -13.229 -2.338
113 HB2 ARG 15 HB2 ARG 15 -7.290 -11.632 -3.124
114 HB3 ARG 15 HB1 ARG 15 -8.363 -12.440 -4.253
115 HG2 ARG 15 HG2 ARG 15 -10.183 -10.962 -3.589
116 HG3 ARG 15 HG1 ARG 15 -9.121 -10.186 -2.412
117 HD2 ARG 15 HD2 ARG 15 -7.604 -9.543 -4.221
118 HD3 ARG 15 HD1 ARG 15 -8.704 -10.263 -5.390
119 HE ARG 15 HE ARG 15 -10.350 -8.576 -4.327
120 HH11 ARG 15 HH11 ARG 15 -6.880 -7.998 -4.896
121 HH12 ARG 15 HH12 ARG 15 -7.066 -6.360 -5.256
122 HH21 ARG 15 HH21 ARG 15 -10.587 -6.277 -4.835
123 HH22 ARG 15 HH22 ARG 15 -9.218 -5.368 -5.260
124 H CYS 16 H CYS 16 -6.278 -13.084 -1.588
125 HA CYS 16 HA CYS 16 -5.655 -15.494 -2.897
126 HB2 CYS 16 HB2 CYS 16 -4.137 -13.977 -0.783
127 HB3 CYS 16 HB1 CYS 16 -3.493 -15.323 -1.718
128 H GLN 17 H GLN 17 -6.771 -14.763 0.340
129 HA GLN 17 HA GLN 17 -6.123 -17.210 1.558
130 HB2 GLN 17 HB2 GLN 17 -8.439 -15.346 2.127
131 HB3 GLN 17 HB1 GLN 17 -8.021 -16.723 3.130
132 HG2 GLN 17 HG2 GLN 17 -5.830 -15.704 3.575
133 HG3 GLN 17 HG1 GLN 17 -6.301 -14.312 2.604
134 HE21 GLN 17 1HE2 GLN 17 -6.789 -16.020 5.593
135 HE22 GLN 17 2HE2 GLN 17 -7.619 -14.734 6.393
136 H VAL 18 H VAL 18 -8.704 -16.322 -0.580
137 HA VAL 18 HA VAL 18 -10.127 -18.798 -0.102
138 HB VAL 18 HB VAL 18 -10.662 -16.686 -2.213
139 HG11 VAL 18 HG11 VAL 18 -12.917 -17.670 -2.302
140 HG12 VAL 18 HG12 VAL 18 -12.399 -18.928 -1.180
141 HG13 VAL 18 3HG1 VAL 18 -11.668 -18.819 -2.781
142 HG21 VAL 18 HG21 VAL 18 -10.837 -15.740 0.023
143 HG22 VAL 18 HG22 VAL 18 -11.908 -17.057 0.504
144 HG23 VAL 18 HG23 VAL 18 -12.434 -15.895 -0.713
145 H ALA 19 H ALA 19 -8.204 -17.338 -2.677
146 HA ALA 19 HA ALA 19 -8.534 -19.545 -4.447
147 HB1 ALA 19 HB1 ALA 19 -6.882 -18.451 -5.850
148 HB2 ALA 19 HB2 ALA 19 -6.467 -17.362 -4.526
149 HB3 ALA 19 HB3 ALA 19 -8.068 -17.284 -5.261
150 H GLU 20 H GLU 20 -5.992 -18.596 -2.190
151 HA GLU 20 HA GLU 20 -4.601 -21.092 -2.793
152 HB2 GLU 20 HB2 GLU 20 -3.540 -18.397 -1.998
153 HB3 GLU 20 HB1 GLU 20 -2.575 -19.865 -1.981
154 HG2 GLU 20 HG2 GLU 20 -3.931 -18.705 -4.401
155 HG3 GLU 20 HG1 GLU 20 -2.219 -18.536 -4.006
156 H ARG 21 H ARG 21 -4.142 -22.392 -1.110
157 HA ARG 21 HA ARG 21 -4.962 -21.418 1.508
158 HB2 ARG 21 HB2 ARG 21 -5.025 -23.766 2.251
159 HB3 ARG 21 HB1 ARG 21 -6.067 -23.493 0.870
160 HG2 ARG 21 HG2 ARG 21 -4.389 -24.512 -0.591
161 HG3 ARG 21 HG1 ARG 21 -3.350 -24.786 0.812
162 HD2 ARG 21 HD2 ARG 21 -6.131 -25.892 0.449
163 HD3 ARG 21 HD1 ARG 21 -4.638 -26.800 0.218
164 HE ARG 21 HE ARG 21 -4.215 -26.174 2.651
165 HH11 ARG 21 HH11 ARG 21 -7.479 -26.769 1.377
166 HH12 ARG 21 HH12 ARG 21 -8.088 -27.407 2.824
167 HH21 ARG 21 HH21 ARG 21 -5.058 -26.997 4.644
168 HH22 ARG 21 HH22 ARG 21 -6.684 -27.520 4.753
169 H GLY 22 H GLY 22 -2.367 -21.606 -0.239
170 HA2 GLY 22 HA2 GLY 22 -0.451 -22.510 1.711
171 HA3 GLY 22 HA1 GLY 22 -0.075 -21.708 0.190
172 H VAL 23 H VAL 23 0.721 -21.330 3.109
173 HA VAL 23 HA VAL 23 -0.312 -18.771 3.807
174 HB VAL 23 HB VAL 23 0.427 -20.323 5.568
175 HG11 VAL 23 HG11 VAL 23 2.309 -21.378 4.505
176 HG12 VAL 23 HG12 VAL 23 2.798 -20.695 6.055
177 HG13 VAL 23 3HG1 VAL 23 3.219 -19.869 4.554
178 HG21 VAL 23 HG21 VAL 23 2.008 -17.756 5.545
179 HG22 VAL 23 HG22 VAL 23 1.698 -18.746 6.969
180 HG23 VAL 23 HG23 VAL 23 0.357 -17.969 6.127
181 H GLU 24 H GLU 24 2.574 -19.859 2.155
182 HA GLU 24 HA GLU 24 3.883 -17.331 2.167
183 HB2 GLU 24 HB2 GLU 24 4.286 -19.742 0.388
184 HB3 GLU 24 HB1 GLU 24 5.316 -18.324 0.405
185 HG2 GLU 24 HG2 GLU 24 4.844 -20.127 2.754
186 HG3 GLU 24 HG1 GLU 24 6.246 -20.184 1.686
187 H GLN 25 H GLN 25 1.605 -18.935 0.174
188 HA GLN 25 HA GLN 25 1.721 -17.360 -2.156
189 HB2 GLN 25 HB2 GLN 25 -0.561 -18.875 -0.894
190 HB3 GLN 25 HB1 GLN 25 -0.623 -18.169 -2.502
191 HG2 GLN 25 HG2 GLN 25 1.398 -20.222 -1.644
192 HG3 GLN 25 HG1 GLN 25 -0.120 -20.601 -2.462
193 HE21 GLN 25 1HE2 GLN 25 -0.351 -20.125 -4.565
194 HE22 GLN 25 2HE2 GLN 25 0.913 -19.622 -5.621
195 H GLN 26 H GLN 26 -0.433 -17.187 0.632
196 HA GLN 26 HA GLN 26 -1.690 -14.729 -0.059
197 HB2 GLN 26 HB2 GLN 26 -1.319 -16.109 2.594
198 HB3 GLN 26 HB1 GLN 26 -2.402 -14.751 2.314
199 HG2 GLN 26 HG2 GLN 26 -3.789 -16.065 0.899
200 HG3 GLN 26 HG1 GLN 26 -2.612 -17.379 0.875
201 HE21 GLN 26 1HE2 GLN 26 -4.202 -18.801 1.631
202 HE22 GLN 26 2HE2 GLN 26 -4.628 -18.830 3.300
203 H ARG 27 H ARG 27 1.221 -15.562 1.676
204 HA ARG 27 HA ARG 27 1.676 -13.035 2.757
205 HB2 ARG 27 HB2 ARG 27 2.727 -14.977 3.695
206 HB3 ARG 27 HB1 ARG 27 3.549 -15.304 2.180
207 HG2 ARG 27 HG2 ARG 27 5.034 -13.517 2.479
208 HG3 ARG 27 HG1 ARG 27 4.040 -12.808 3.756
209 HD2 ARG 27 HD2 ARG 27 5.295 -15.523 3.972
210 HD3 ARG 27 HD1 ARG 27 6.091 -14.051 4.552
211 HE ARG 27 HE ARG 27 3.836 -13.809 5.798
212 HH11 ARG 27 HH11 ARG 27 5.487 -16.949 5.326
213 HH12 ARG 27 HH12 ARG 27 5.059 -17.514 6.867
214 HH21 ARG 27 HH21 ARG 27 3.220 -14.666 7.830
215 HH22 ARG 27 HH22 ARG 27 3.753 -16.208 8.329
216 H LYS 28 H LYS 28 2.622 -14.503 -0.324
217 HA LYS 28 HA LYS 28 4.247 -12.371 -1.225
218 HB2 LYS 28 HB2 LYS 28 2.475 -14.202 -2.874
219 HB3 LYS 28 HB1 LYS 28 3.704 -13.140 -3.532
220 HG2 LYS 28 HG2 LYS 28 4.170 -15.511 -1.733
221 HG3 LYS 28 HG1 LYS 28 4.486 -15.431 -3.465
222 HD2 LYS 28 HD2 LYS 28 6.127 -13.621 -3.032
223 HD3 LYS 28 HD1 LYS 28 5.851 -13.830 -1.302
224 HE2 LYS 28 HE2 LYS 28 6.939 -15.907 -3.207
225 HE3 LYS 28 HE1 LYS 28 7.848 -15.012 -1.991
226 HZ1 LYS 28 HZ1 LYS 28 7.339 -17.189 -1.193
227 HZ2 LYS 28 HZ2 LYS 28 5.695 -16.981 -1.488
228 HZ3 LYS 28 HZ3 LYS 28 6.464 -16.067 -0.288
229 H CYS 29 H CYS 29 0.828 -13.022 -1.458
230 HA CYS 29 HA CYS 29 -0.027 -10.838 -2.907
231 HB2 CYS 29 HB2 CYS 29 -1.402 -12.312 -0.676
232 HB3 CYS 29 HB1 CYS 29 -2.228 -11.226 -1.774
233 H GLU 30 H GLU 30 0.289 -11.106 0.675
234 HA GLU 30 HA GLU 30 -0.633 -8.498 1.102
235 HB2 GLU 30 HB2 GLU 30 0.161 -8.679 3.387
236 HB3 GLU 30 HB1 GLU 30 -0.603 -10.183 2.917
237 HG2 GLU 30 HG2 GLU 30 1.609 -11.161 2.550
238 HG3 GLU 30 HG1 GLU 30 2.342 -9.653 3.053
239 H GLN 31 H GLN 31 2.624 -9.758 0.639
240 HA GLN 31 HA GLN 31 4.007 -7.387 1.255
241 HB2 GLN 31 HB2 GLN 31 4.773 -9.615 -0.605
242 HB3 GLN 31 HB1 GLN 31 5.869 -8.352 -0.066
243 HG2 GLN 31 HG2 GLN 31 5.655 -9.111 2.223
244 HG3 GLN 31 HG1 GLN 31 4.483 -10.330 1.726
245 HE21 GLN 31 1HE2 GLN 31 6.002 -10.872 -0.761
246 HE22 GLN 31 2HE2 GLN 31 7.350 -11.811 -0.276
247 H VAL 32 H VAL 32 2.853 -8.621 -1.871
248 HA VAL 32 HA VAL 32 3.878 -6.527 -3.439
249 HB VAL 32 HB VAL 32 1.452 -8.291 -3.956
250 HG11 VAL 32 HG11 VAL 32 1.337 -6.252 -5.318
251 HG12 VAL 32 HG12 VAL 32 1.678 -7.667 -6.313
252 HG13 VAL 32 3HG1 VAL 32 2.976 -6.548 -5.900
253 HG21 VAL 32 HG21 VAL 32 2.974 -9.539 -5.421
254 HG22 VAL 32 HG22 VAL 32 3.534 -9.536 -3.749
255 HG23 VAL 32 HG23 VAL 32 4.299 -8.481 -4.938
256 H CYS 33 H CYS 33 0.672 -6.939 -1.979
257 HA CYS 33 HA CYS 33 -0.238 -4.416 -2.861
258 HB2 CYS 33 HB2 CYS 33 -1.292 -6.288 -0.743
259 HB3 CYS 33 HB1 CYS 33 -2.121 -4.815 -1.232
260 H GLU 34 H GLU 34 1.519 -5.449 -0.019
261 HA GLU 34 HA GLU 34 1.047 -3.224 1.626
262 HB2 GLU 34 HB2 GLU 34 2.162 -5.503 2.195
263 HB3 GLU 34 HB1 GLU 34 3.615 -4.775 1.561
264 HG2 GLU 34 HG2 GLU 34 3.642 -3.116 3.248
265 HG3 GLU 34 HG1 GLU 34 2.034 -3.582 3.810
266 H GLU 35 H GLU 35 3.292 -3.807 -0.980
267 HA GLU 35 HA GLU 35 4.924 -1.548 -0.613
268 HB2 GLU 35 HB2 GLU 35 4.167 -2.964 -3.165
269 HB3 GLU 35 HB1 GLU 35 5.444 -1.765 -3.035
270 HG2 GLU 35 HG2 GLU 35 6.597 -3.223 -1.429
271 HG3 GLU 35 HG1 GLU 35 5.329 -4.427 -1.669
272 H ARG 36 H ARG 36 1.827 -1.994 -2.137
273 HA ARG 36 HA ARG 36 1.677 0.582 -3.388
274 HB2 ARG 36 HB2 ARG 36 0.309 -1.558 -3.902
275 HB3 ARG 36 HB1 ARG 36 -0.681 -1.076 -2.535
276 HG2 ARG 36 HG2 ARG 36 -0.957 1.146 -3.702
277 HG3 ARG 36 HG1 ARG 36 -0.274 0.359 -5.127
278 HD2 ARG 36 HD2 ARG 36 -2.597 0.157 -5.372
279 HD3 ARG 36 HD1 ARG 36 -2.065 -1.418 -4.782
280 HE ARG 36 HE ARG 36 -2.680 0.044 -2.549
281 HH11 ARG 36 HH11 ARG 36 -4.401 -1.346 -5.283
282 HH12 ARG 36 HH12 ARG 36 -5.955 -1.122 -4.617
283 HH21 ARG 36 HH21 ARG 36 -4.764 0.388 -1.627
284 HH22 ARG 36 HH22 ARG 36 -6.189 -0.039 -2.475
285 H LEU 37 H LEU 37 0.846 -0.815 -0.327
286 HA LEU 37 HA LEU 37 -0.626 1.377 0.679
287 HB2 LEU 37 HB2 LEU 37 0.522 -1.128 1.764
288 HB3 LEU 37 HB1 LEU 37 0.155 0.109 2.935
289 HG LEU 37 HG LEU 37 -1.632 -1.596 2.652
290 HD11 LEU 37 HD11 LEU 37 -2.361 1.226 1.923
291 HD12 LEU 37 HD12 LEU 37 -2.178 0.561 3.550
292 HD13 LEU 37 HD13 LEU 37 -3.484 -0.001 2.506
293 HD21 LEU 37 HD21 LEU 37 -1.958 -0.357 -0.079
294 HD22 LEU 37 HD22 LEU 37 -3.108 -1.453 0.671
295 HD23 LEU 37 HD23 LEU 37 -1.486 -2.019 0.264
296 H ARG 38 H ARG 38 2.739 0.451 0.781
297 HA ARG 38 HA ARG 38 3.566 2.608 2.410
298 HB2 ARG 38 HB2 ARG 38 5.154 1.070 0.350
299 HB3 ARG 38 HB1 ARG 38 5.845 2.168 1.538
300 HG2 ARG 38 HG2 ARG 38 4.904 0.720 3.317
301 HG3 ARG 38 HG1 ARG 38 4.413 -0.420 2.063
302 HD2 ARG 38 HD2 ARG 38 7.218 0.478 2.686
303 HD3 ARG 38 HD1 ARG 38 6.510 -1.086 3.073
304 HE ARG 38 HE ARG 38 6.443 -0.476 0.282
305 HH11 ARG 38 HH11 ARG 38 8.471 -1.741 2.885
306 HH12 ARG 38 HH12 ARG 38 9.490 -2.642 1.853
307 HH21 ARG 38 HH21 ARG 38 7.839 -1.702 -1.138
308 HH22 ARG 38 HH22 ARG 38 9.112 -2.632 -0.480
309 H GLU 39 H GLU 39 3.034 2.260 -1.037
310 HA GLU 39 HA GLU 39 3.982 4.791 -1.832
311 HB2 GLU 39 HB2 GLU 39 1.745 3.155 -3.021
312 HB3 GLU 39 HB1 GLU 39 2.457 4.566 -3.779
313 HG2 GLU 39 HG2 GLU 39 4.600 3.380 -3.888
314 HG3 GLU 39 HG1 GLU 39 3.822 1.958 -3.187
315 H ARG 40 H ARG 40 1.217 3.839 -0.077
316 HA ARG 40 HA ARG 40 -0.185 6.278 -0.679
317 HB2 ARG 40 HB2 ARG 40 -1.372 4.077 -0.330
318 HB3 ARG 40 HB1 ARG 40 -0.951 4.196 1.374
319 HG2 ARG 40 HG2 ARG 40 -3.229 4.935 0.952
320 HG3 ARG 40 HG1 ARG 40 -2.226 6.258 1.559
321 HD2 ARG 40 HD2 ARG 40 -1.914 7.087 -0.714
322 HD3 ARG 40 HD1 ARG 40 -2.882 5.754 -1.345
323 HE ARG 40 HE ARG 40 -4.579 6.887 0.299
324 HH11 ARG 40 HH11 ARG 40 -2.266 8.488 -1.879
325 HH12 ARG 40 HH12 ARG 40 -3.353 9.701 -2.355
326 HH21 ARG 40 HH21 ARG 40 -6.047 8.625 -0.324
327 HH22 ARG 40 HH22 ARG 40 -5.552 9.805 -1.449
328 H GLU 41 H GLU 41 1.787 4.902 1.823
329 HA GLU 41 HA GLU 41 1.522 7.077 3.680
330 HB2 GLU 41 HB2 GLU 41 3.660 4.966 3.343
331 HB3 GLU 41 HB1 GLU 41 3.565 6.076 4.703
332 HG2 GLU 41 HG2 GLU 41 1.493 5.124 5.414
333 HG3 GLU 41 HG1 GLU 41 1.408 4.126 3.962
334 H GLN 42 H GLN 42 3.102 6.500 0.823
335 HA GLN 42 HA GLN 42 5.094 8.610 0.942
336 HB2 GLN 42 HB2 GLN 42 5.505 6.511 -0.268
337 HB3 GLN 42 HB1 GLN 42 4.052 6.750 -1.208
338 HG2 GLN 42 HG2 GLN 42 5.108 8.668 -2.322
339 HG3 GLN 42 HG1 GLN 42 6.574 8.385 -1.383
340 HE21 GLN 42 1HE2 GLN 42 6.358 5.471 -1.527
341 HE22 GLN 42 2HE2 GLN 42 6.782 5.054 -3.142
342 H GLY 43 H GLY 43 1.825 8.452 0.734
343 HA2 GLY 43 HA2 GLY 43 0.254 10.041 0.226
344 HA3 GLY 43 HA1 GLY 43 1.506 11.005 -0.566
345 H ARG 44 H ARG 44 2.274 10.340 -2.566
346 HA ARG 44 HA ARG 44 0.943 8.291 -4.051
347 HB2 ARG 44 HB2 ARG 44 0.264 9.816 -5.823
348 HB3 ARG 44 HB1 ARG 44 -0.540 10.244 -4.320
349 HG2 ARG 44 HG2 ARG 44 1.202 12.002 -3.986
350 HG3 ARG 44 HG1 ARG 44 1.788 11.634 -5.612
351 HD2 ARG 44 HD2 ARG 44 -0.936 12.488 -4.825
352 HD3 ARG 44 HD1 ARG 44 0.265 13.505 -5.641
353 HE ARG 44 HE ARG 44 0.099 11.608 -7.406
354 HH11 ARG 44 HH11 ARG 44 -2.650 12.952 -5.610
355 HH12 ARG 44 HH12 ARG 44 -3.781 12.614 -6.834
356 HH21 ARG 44 HH21 ARG 44 -1.451 11.103 -9.040
357 HH22 ARG 44 HH22 ARG 44 -3.083 11.515 -8.831
358 H GLY 45 H GLY 45 2.002 8.685 -6.437
359 HA2 GLY 45 HA2 GLY 45 4.824 8.612 -5.904
360 HA3 GLY 45 HA1 GLY 45 4.037 8.270 -7.442
361 H GLU 46 H GLU 46 4.468 10.995 -5.239
362 HA GLU 46 HA GLU 46 4.530 12.748 -7.526
363 HB2 GLU 46 HB2 GLU 46 4.540 14.601 -5.787
364 HB3 GLU 46 HB1 GLU 46 3.098 13.603 -5.847
365 HG2 GLU 46 HG2 GLU 46 3.863 12.360 -3.893
366 HG3 GLU 46 HG1 GLU 46 5.340 13.319 -3.852
367 H ASP 47 H ASP 47 6.412 12.003 -8.324
368 HA ASP 47 HA ASP 47 8.889 12.412 -6.855
369 HB2 ASP 47 HB2 ASP 47 8.718 10.483 -8.324
370 HB3 ASP 47 HB1 ASP 47 8.364 11.525 -9.696
371 H VAL 48 H VAL 48 7.070 13.828 -9.442
372 HA VAL 48 HA VAL 48 8.543 16.263 -9.088
373 HB VAL 48 HB VAL 48 9.664 15.353 -11.035
374 HG11 VAL 48 HG11 VAL 48 6.959 14.949 -12.294
375 HG12 VAL 48 HG12 VAL 48 8.047 13.687 -11.722
376 HG13 VAL 48 3HG1 VAL 48 8.513 14.697 -13.091
377 HG21 VAL 48 HG21 VAL 48 9.158 17.044 -12.748
378 HG22 VAL 48 HG22 VAL 48 9.190 17.744 -11.126
379 HG23 VAL 48 HG23 VAL 48 7.651 17.419 -11.913
380 H ASP 49 H ASP 49 7.029 17.425 -8.249
381 HA ASP 49 HA ASP 49 4.351 17.370 -9.393
382 HB2 ASP 49 HB2 ASP 49 4.449 17.120 -6.965
383 HB3 ASP 49 HB1 ASP 49 5.372 18.608 -6.822
Start of MODEL 14
1 H PCA 1 H PGL 1 -15.701 7.149 -3.299
2 HA PCA 1 HA PGL 1 -15.307 9.514 -2.386
3 HB2 PCA 1 HB1 PGL 1 -17.145 10.402 -1.387
4 HB3 PCA 1 HB2 PGL 1 -17.038 9.165 -0.104
5 HG2 PCA 1 HG1 PGL 1 -18.907 9.291 -2.331
6 HG3 PCA 1 HG2 PGL 1 -18.822 8.087 -1.000
7 H ARG 2 H ARG 2 -15.466 6.337 -1.275
8 HA ARG 2 HA ARG 2 -13.985 6.825 1.153
9 HB2 ARG 2 HB2 ARG 2 -14.631 4.234 -0.265
10 HB3 ARG 2 HB1 ARG 2 -13.879 4.359 1.315
11 HG2 ARG 2 HG2 ARG 2 -15.891 5.455 2.184
12 HG3 ARG 2 HG1 ARG 2 -16.648 5.305 0.599
13 HD2 ARG 2 HD2 ARG 2 -15.703 3.030 2.331
14 HD3 ARG 2 HD1 ARG 2 -17.377 3.540 2.132
15 HE ARG 2 HE ARG 2 -16.356 3.015 -0.393
16 HH11 ARG 2 HH11 ARG 2 -16.970 1.187 2.582
17 HH12 ARG 2 HH12 ARG 2 -17.347 -0.274 1.784
18 HH21 ARG 2 HH21 ARG 2 -16.819 0.977 -1.488
19 HH22 ARG 2 HH22 ARG 2 -17.255 -0.388 -0.581
20 H GLY 3 H GLY 3 -11.831 6.366 1.454
21 HA2 GLY 3 HA2 GLY 3 -10.284 5.587 -0.894
22 HA3 GLY 3 HA1 GLY 3 -9.925 7.129 -0.128
23 H SER 4 H SER 4 -10.911 4.251 1.583
24 HA SER 4 HA SER 4 -8.675 4.404 3.316
25 HB2 SER 4 HB2 SER 4 -10.691 3.515 4.228
26 HB3 SER 4 HB1 SER 4 -10.790 2.255 2.986
27 HG SER 4 HG SER 4 -9.742 2.067 5.333
28 HA PRO 5 HA PRO 5 -5.937 2.105 0.661
29 HB2 PRO 5 HB2 PRO 5 -3.806 2.111 2.342
30 HB3 PRO 5 HB1 PRO 5 -4.280 3.525 1.392
31 HG2 PRO 5 HG2 PRO 5 -4.807 2.914 4.261
32 HG3 PRO 5 HG1 PRO 5 -4.316 4.445 3.515
33 HD2 PRO 5 HD2 PRO 5 -6.870 3.894 4.228
34 HD3 PRO 5 HD1 PRO 5 -6.457 4.953 2.861
35 H ARG 6 H ARG 6 -6.825 1.353 3.955
36 HA ARG 6 HA ARG 6 -5.485 -1.170 3.743
37 HB2 ARG 6 HB2 ARG 6 -5.442 0.028 5.928
38 HB3 ARG 6 HB1 ARG 6 -7.174 -0.266 6.084
39 HG2 ARG 6 HG2 ARG 6 -6.831 -2.640 6.083
40 HG3 ARG 6 HG1 ARG 6 -5.116 -2.436 5.761
41 HD2 ARG 6 HD2 ARG 6 -4.885 -1.341 7.963
42 HD3 ARG 6 HD1 ARG 6 -6.599 -1.650 8.262
43 HE ARG 6 HE ARG 6 -5.608 -4.064 7.546
44 HH11 ARG 6 HH11 ARG 6 -4.866 -1.795 10.156
45 HH12 ARG 6 HH12 ARG 6 -4.217 -2.974 11.197
46 HH21 ARG 6 HH21 ARG 6 -4.739 -5.672 8.963
47 HH22 ARG 6 HH22 ARG 6 -4.169 -5.253 10.504
48 H ALA 7 H ALA 7 -8.683 0.068 3.384
49 HA ALA 7 HA ALA 7 -10.180 -2.278 3.554
50 HB1 ALA 7 HB1 ALA 7 -11.758 -1.199 2.030
51 HB2 ALA 7 HB2 ALA 7 -10.524 -0.023 1.578
52 HB3 ALA 7 HB3 ALA 7 -11.156 -0.044 3.222
53 H GLU 8 H GLU 8 -8.420 -0.905 0.831
54 HA GLU 8 HA GLU 8 -8.933 -2.930 -1.066
55 HB2 GLU 8 HB2 GLU 8 -6.480 -1.193 -0.852
56 HB3 GLU 8 HB1 GLU 8 -7.098 -1.963 -2.299
57 HG2 GLU 8 HG2 GLU 8 -9.087 -0.534 -2.182
58 HG3 GLU 8 HG1 GLU 8 -8.403 0.269 -0.767
59 H TYR 9 H TYR 9 -6.377 -2.366 1.257
60 HA TYR 9 HA TYR 9 -4.570 -4.389 0.609
61 HB2 TYR 9 HB2 TYR 9 -4.070 -2.495 2.039
62 HB3 TYR 9 HB1 TYR 9 -5.210 -3.082 3.239
63 HD1 TYR 9 HD1 TYR 9 -4.668 -5.081 4.566
64 HD2 TYR 9 HD2 TYR 9 -1.843 -3.314 1.934
65 HE1 TYR 9 HE1 TYR 9 -2.938 -6.252 5.720
66 HE2 TYR 9 HE2 TYR 9 -0.038 -4.474 3.057
67 HH TYR 9 HH TYR 9 0.405 -5.479 5.302
68 H GLU 10 H GLU 10 -7.192 -4.390 3.029
69 HA GLU 10 HA GLU 10 -6.789 -6.985 3.970
70 HB2 GLU 10 HB2 GLU 10 -9.412 -5.489 3.819
71 HB3 GLU 10 HB1 GLU 10 -9.016 -6.898 4.815
72 HG2 GLU 10 HG2 GLU 10 -7.671 -4.245 5.075
73 HG3 GLU 10 HG1 GLU 10 -9.066 -4.730 6.030
74 H VAL 11 H VAL 11 -8.992 -5.775 1.440
75 HA VAL 11 HA VAL 11 -10.108 -8.253 0.726
76 HB VAL 11 HB VAL 11 -9.671 -5.802 -1.019
77 HG11 VAL 11 HG11 VAL 11 -10.066 -7.788 -2.408
78 HG12 VAL 11 HG12 VAL 11 -11.451 -6.697 -2.455
79 HG13 VAL 11 3HG1 VAL 11 -11.513 -8.158 -1.470
80 HG21 VAL 11 HG21 VAL 11 -12.079 -6.731 0.532
81 HG22 VAL 11 HG22 VAL 11 -11.995 -5.308 -0.510
82 HG23 VAL 11 HG23 VAL 11 -11.023 -5.383 0.957
83 H CYS 12 H CYS 12 -7.275 -6.588 -0.426
84 HA CYS 12 HA CYS 12 -6.372 -8.158 -2.484
85 HB2 CYS 12 HB2 CYS 12 -5.345 -6.057 -1.825
86 HB3 CYS 12 HB1 CYS 12 -4.828 -6.757 -0.305
87 H ARG 13 H ARG 13 -5.684 -8.568 0.987
88 HA ARG 13 HA ARG 13 -4.290 -11.024 0.447
89 HB2 ARG 13 HB2 ARG 13 -3.826 -11.124 2.822
90 HB3 ARG 13 HB1 ARG 13 -3.498 -9.509 2.219
91 HG2 ARG 13 HG2 ARG 13 -5.721 -8.811 3.133
92 HG3 ARG 13 HG1 ARG 13 -5.846 -10.407 3.873
93 HD2 ARG 13 HD2 ARG 13 -3.744 -8.313 4.399
94 HD3 ARG 13 HD1 ARG 13 -5.003 -8.857 5.505
95 HE ARG 13 HE ARG 13 -3.552 -11.100 4.840
96 HH11 ARG 13 HH11 ARG 13 -2.961 -8.060 6.550
97 HH12 ARG 13 HH12 ARG 13 -1.603 -8.648 7.384
98 HH21 ARG 13 HH21 ARG 13 -1.697 -11.891 6.011
99 HH22 ARG 13 HH22 ARG 13 -0.871 -10.864 7.085
100 H LEU 14 H LEU 14 -7.457 -10.068 1.475
101 HA LEU 14 HA LEU 14 -8.397 -12.466 2.541
102 HB2 LEU 14 HB2 LEU 14 -9.589 -10.335 2.746
103 HB3 LEU 14 HB1 LEU 14 -9.895 -10.338 1.025
104 HG LEU 14 HG LEU 14 -11.358 -12.294 1.273
105 HD11 LEU 14 HD11 LEU 14 -10.812 -11.997 4.222
106 HD12 LEU 14 HD12 LEU 14 -10.307 -13.345 3.200
107 HD13 LEU 14 HD13 LEU 14 -12.019 -13.059 3.503
108 HD21 LEU 14 HD21 LEU 14 -12.029 -10.028 3.146
109 HD22 LEU 14 HD22 LEU 14 -13.182 -11.162 2.443
110 HD23 LEU 14 HD23 LEU 14 -12.299 -10.043 1.405
111 H ARG 15 H ARG 15 -8.468 -11.259 -0.803
112 HA ARG 15 HA ARG 15 -9.781 -13.377 -2.033
113 HB2 ARG 15 HB2 ARG 15 -7.450 -11.772 -3.095
114 HB3 ARG 15 HB1 ARG 15 -8.374 -12.900 -4.065
115 HG2 ARG 15 HG2 ARG 15 -10.379 -11.526 -3.717
116 HG3 ARG 15 HG1 ARG 15 -9.409 -10.382 -2.779
117 HD2 ARG 15 HD2 ARG 15 -7.979 -9.985 -4.710
118 HD3 ARG 15 HD1 ARG 15 -8.890 -11.162 -5.648
119 HE ARG 15 HE ARG 15 -10.697 -9.280 -4.743
120 HH11 ARG 15 HH11 ARG 15 -7.898 -9.345 -6.926
121 HH12 ARG 15 HH12 ARG 15 -8.470 -8.068 -7.902
122 HH21 ARG 15 HH21 ARG 15 -11.451 -7.526 -6.075
123 HH22 ARG 15 HH22 ARG 15 -10.503 -6.983 -7.382
124 H CYS 16 H CYS 16 -6.367 -13.036 -1.310
125 HA CYS 16 HA CYS 16 -5.633 -15.538 -2.355
126 HB2 CYS 16 HB2 CYS 16 -4.202 -13.741 -0.425
127 HB3 CYS 16 HB1 CYS 16 -3.497 -15.158 -1.198
128 H GLN 17 H GLN 17 -6.727 -14.534 0.843
129 HA GLN 17 HA GLN 17 -5.931 -16.982 2.064
130 HB2 GLN 17 HB2 GLN 17 -7.892 -14.893 2.999
131 HB3 GLN 17 HB1 GLN 17 -7.443 -16.306 3.938
132 HG2 GLN 17 HG2 GLN 17 -5.086 -15.531 3.861
133 HG3 GLN 17 HG1 GLN 17 -5.649 -14.058 3.071
134 HE21 GLN 17 1HE2 GLN 17 -6.878 -12.595 4.249
135 HE22 GLN 17 2HE2 GLN 17 -6.930 -12.620 5.970
136 H VAL 18 H VAL 18 -8.692 -15.969 0.304
137 HA VAL 18 HA VAL 18 -10.245 -18.265 1.065
138 HB VAL 18 HB VAL 18 -10.642 -16.338 -1.256
139 HG11 VAL 18 HG11 VAL 18 -12.938 -17.192 -1.346
140 HG12 VAL 18 HG12 VAL 18 -12.554 -18.354 -0.075
141 HG13 VAL 18 3HG1 VAL 18 -11.763 -18.476 -1.644
142 HG21 VAL 18 HG21 VAL 18 -12.396 -15.348 0.158
143 HG22 VAL 18 HG22 VAL 18 -10.793 -15.203 0.876
144 HG23 VAL 18 HG23 VAL 18 -11.918 -16.420 1.474
145 H ALA 19 H ALA 19 -8.401 -17.243 -1.757
146 HA ALA 19 HA ALA 19 -8.801 -19.582 -3.286
147 HB1 ALA 19 HB1 ALA 19 -6.993 -18.726 -4.692
148 HB2 ALA 19 HB2 ALA 19 -6.564 -17.565 -3.438
149 HB3 ALA 19 HB3 ALA 19 -8.120 -17.440 -4.256
150 H GLU 20 H GLU 20 -6.080 -18.561 -1.242
151 HA GLU 20 HA GLU 20 -4.918 -21.264 -1.435
152 HB2 GLU 20 HB2 GLU 20 -3.554 -18.614 -0.949
153 HB3 GLU 20 HB1 GLU 20 -2.765 -20.168 -1.083
154 HG2 GLU 20 HG2 GLU 20 -4.220 -18.722 -3.290
155 HG3 GLU 20 HG1 GLU 20 -2.474 -18.799 -3.081
156 H ARG 21 H ARG 21 -4.152 -22.096 0.588
157 HA ARG 21 HA ARG 21 -4.589 -20.301 2.837
158 HB2 ARG 21 HB2 ARG 21 -5.255 -22.140 4.281
159 HB3 ARG 21 HB1 ARG 21 -6.312 -22.042 2.893
160 HG2 ARG 21 HG2 ARG 21 -5.225 -23.971 1.906
161 HG3 ARG 21 HG1 ARG 21 -4.088 -24.038 3.261
162 HD2 ARG 21 HD2 ARG 21 -7.086 -24.353 3.408
163 HD3 ARG 21 HD1 ARG 21 -5.886 -25.627 3.642
164 HE ARG 21 HE ARG 21 -5.103 -24.017 5.521
165 HH11 ARG 21 HH11 ARG 21 -8.444 -24.943 4.772
166 HH12 ARG 21 HH12 ARG 21 -9.057 -24.502 6.296
167 HH21 ARG 21 HH21 ARG 21 -5.963 -23.414 7.621
168 HH22 ARG 21 HH22 ARG 21 -7.619 -23.643 7.954
169 H GLY 22 H GLY 22 -2.327 -21.129 1.079
170 HA2 GLY 22 HA2 GLY 22 -0.439 -22.230 2.966
171 HA3 GLY 22 HA1 GLY 22 -0.119 -21.742 1.304
172 H VAL 23 H VAL 23 1.134 -21.099 3.959
173 HA VAL 23 HA VAL 23 0.545 -18.479 4.757
174 HB VAL 23 HB VAL 23 3.207 -19.885 5.058
175 HG11 VAL 23 HG11 VAL 23 3.284 -17.543 5.633
176 HG12 VAL 23 HG12 VAL 23 3.424 -18.535 7.084
177 HG13 VAL 23 3HG1 VAL 23 1.897 -17.740 6.702
178 HG21 VAL 23 HG21 VAL 23 2.378 -20.737 7.199
179 HG22 VAL 23 HG22 VAL 23 1.419 -21.352 5.852
180 HG23 VAL 23 HG23 VAL 23 0.793 -20.047 6.860
181 H GLU 24 H GLU 24 3.177 -19.698 2.704
182 HA GLU 24 HA GLU 24 4.397 -17.210 2.243
183 HB2 GLU 24 HB2 GLU 24 4.450 -19.716 0.584
184 HB3 GLU 24 HB1 GLU 24 5.486 -18.325 0.305
185 HG2 GLU 24 HG2 GLU 24 5.412 -19.954 2.823
186 HG3 GLU 24 HG1 GLU 24 6.598 -20.134 1.533
187 H GLN 25 H GLN 25 1.934 -18.935 0.429
188 HA GLN 25 HA GLN 25 1.820 -17.232 -1.807
189 HB2 GLN 25 HB2 GLN 25 -0.376 -18.875 -0.546
190 HB3 GLN 25 HB1 GLN 25 -0.516 -18.069 -2.098
191 HG2 GLN 25 HG2 GLN 25 1.450 -20.249 -1.416
192 HG3 GLN 25 HG1 GLN 25 -0.028 -20.433 -2.360
193 HE21 GLN 25 1HE2 GLN 25 3.230 -19.314 -2.338
194 HE22 GLN 25 2HE2 GLN 25 3.335 -18.986 -4.031
195 H GLN 26 H GLN 26 0.023 -17.133 1.225
196 HA GLN 26 HA GLN 26 -1.516 -14.807 0.549
197 HB2 GLN 26 HB2 GLN 26 -0.873 -15.941 3.277
198 HB3 GLN 26 HB1 GLN 26 -2.198 -14.856 2.873
199 HG2 GLN 26 HG2 GLN 26 -3.259 -16.561 1.546
200 HG3 GLN 26 HG1 GLN 26 -1.889 -17.642 1.781
201 HE21 GLN 26 1HE2 GLN 26 -4.611 -18.183 2.412
202 HE22 GLN 26 2HE2 GLN 26 -4.707 -18.388 4.119
203 H ARG 27 H ARG 27 1.537 -15.376 2.173
204 HA ARG 27 HA ARG 27 1.991 -12.782 3.080
205 HB2 ARG 27 HB2 ARG 27 3.885 -14.978 2.322
206 HB3 ARG 27 HB1 ARG 27 4.460 -13.409 2.862
207 HG2 ARG 27 HG2 ARG 27 3.273 -13.682 4.950
208 HG3 ARG 27 HG1 ARG 27 2.682 -15.258 4.418
209 HD2 ARG 27 HD2 ARG 27 4.893 -16.144 4.348
210 HD3 ARG 27 HD1 ARG 27 5.596 -14.547 4.608
211 HE ARG 27 HE ARG 27 4.047 -14.880 6.754
212 HH11 ARG 27 HH11 ARG 27 6.373 -17.147 5.310
213 HH12 ARG 27 HH12 ARG 27 7.051 -17.622 6.784
214 HH21 ARG 27 HH21 ARG 27 4.936 -15.587 8.807
215 HH22 ARG 27 HH22 ARG 27 6.198 -16.720 8.855
216 H LYS 28 H LYS 28 2.800 -14.294 -0.004
217 HA LYS 28 HA LYS 28 4.141 -12.065 -1.059
218 HB2 LYS 28 HB2 LYS 28 2.612 -14.212 -2.543
219 HB3 LYS 28 HB1 LYS 28 3.730 -13.071 -3.286
220 HG2 LYS 28 HG2 LYS 28 5.543 -13.964 -1.897
221 HG3 LYS 28 HG1 LYS 28 4.420 -15.130 -1.207
222 HD2 LYS 28 HD2 LYS 28 4.059 -16.074 -3.435
223 HD3 LYS 28 HD1 LYS 28 5.219 -14.921 -4.105
224 HE2 LYS 28 HE2 LYS 28 6.939 -15.846 -2.565
225 HE3 LYS 28 HE1 LYS 28 5.772 -17.062 -2.054
226 HZ1 LYS 28 HZ1 LYS 28 6.808 -16.696 -4.802
227 HZ2 LYS 28 HZ2 LYS 28 5.697 -17.882 -4.341
228 HZ3 LYS 28 HZ3 LYS 28 7.264 -17.912 -3.731
229 H CYS 29 H CYS 29 0.801 -12.934 -0.953
230 HA CYS 29 HA CYS 29 -0.221 -10.859 -2.535
231 HB2 CYS 29 HB2 CYS 29 -1.401 -12.532 -0.360
232 HB3 CYS 29 HB1 CYS 29 -2.374 -11.395 -1.263
233 H GLU 30 H GLU 30 0.284 -11.062 1.029
234 HA GLU 30 HA GLU 30 -0.827 -8.516 1.468
235 HB2 GLU 30 HB2 GLU 30 0.031 -8.626 3.720
236 HB3 GLU 30 HB1 GLU 30 -0.496 -10.241 3.294
237 HG2 GLU 30 HG2 GLU 30 1.856 -10.849 2.847
238 HG3 GLU 30 HG1 GLU 30 2.338 -9.239 3.339
239 H GLN 31 H GLN 31 2.412 -9.632 0.727
240 HA GLN 31 HA GLN 31 3.706 -7.210 1.201
241 HB2 GLN 31 HB2 GLN 31 4.527 -9.459 -0.624
242 HB3 GLN 31 HB1 GLN 31 5.551 -8.081 -0.245
243 HG2 GLN 31 HG2 GLN 31 4.530 -10.183 1.659
244 HG3 GLN 31 HG1 GLN 31 6.195 -9.927 1.140
245 HE21 GLN 31 1HE2 GLN 31 6.012 -7.016 1.348
246 HE22 GLN 31 2HE2 GLN 31 5.935 -6.643 3.028
247 H VAL 32 H VAL 32 2.346 -8.446 -1.837
248 HA VAL 32 HA VAL 32 3.243 -6.375 -3.498
249 HB VAL 32 HB VAL 32 0.655 -7.966 -3.729
250 HG11 VAL 32 HG11 VAL 32 0.489 -5.924 -5.063
251 HG12 VAL 32 HG12 VAL 32 0.646 -7.338 -6.105
252 HG13 VAL 32 3HG1 VAL 32 2.035 -6.288 -5.831
253 HG21 VAL 32 HG21 VAL 32 3.343 -8.327 -5.039
254 HG22 VAL 32 HG22 VAL 32 1.897 -9.265 -5.397
255 HG23 VAL 32 HG23 VAL 32 2.632 -9.357 -3.796
256 H CYS 33 H CYS 33 0.377 -6.534 -1.492
257 HA CYS 33 HA CYS 33 -0.404 -3.917 -2.330
258 HB2 CYS 33 HB2 CYS 33 -1.618 -5.877 -0.421
259 HB3 CYS 33 HB1 CYS 33 -2.272 -4.252 -0.621
260 H GLU 34 H GLU 34 1.305 -5.245 0.397
261 HA GLU 34 HA GLU 34 1.203 -2.992 2.082
262 HB2 GLU 34 HB2 GLU 34 2.017 -5.164 2.878
263 HB3 GLU 34 HB1 GLU 34 3.353 -5.093 1.742
264 HG2 GLU 34 HG2 GLU 34 4.269 -3.167 2.920
265 HG3 GLU 34 HG1 GLU 34 2.918 -3.220 4.048
266 H GLU 35 H GLU 35 3.355 -3.944 -0.523
267 HA GLU 35 HA GLU 35 5.168 -1.807 -0.223
268 HB2 GLU 35 HB2 GLU 35 4.617 -3.492 -2.660
269 HB3 GLU 35 HB1 GLU 35 5.993 -2.413 -2.459
270 HG2 GLU 35 HG2 GLU 35 6.681 -3.737 -0.492
271 HG3 GLU 35 HG1 GLU 35 5.375 -4.868 -0.840
272 H ARG 36 H ARG 36 2.156 -2.110 -1.862
273 HA ARG 36 HA ARG 36 2.439 0.352 -3.326
274 HB2 ARG 36 HB2 ARG 36 0.860 -1.494 -4.006
275 HB3 ARG 36 HB1 ARG 36 -0.125 -1.100 -2.605
276 HG2 ARG 36 HG2 ARG 36 -0.512 1.142 -3.490
277 HG3 ARG 36 HG1 ARG 36 0.495 0.768 -4.886
278 HD2 ARG 36 HD2 ARG 36 -1.734 0.512 -5.602
279 HD3 ARG 36 HD1 ARG 36 -1.101 -1.114 -5.381
280 HE ARG 36 HE ARG 36 -2.533 -0.016 -3.126
281 HH11 ARG 36 HH11 ARG 36 -2.693 -2.065 -5.997
282 HH12 ARG 36 HH12 ARG 36 -4.222 -2.711 -5.677
283 HH21 ARG 36 HH21 ARG 36 -4.770 -0.871 -2.685
284 HH22 ARG 36 HH22 ARG 36 -5.403 -2.031 -3.743
285 H LEU 37 H LEU 37 1.152 -0.699 -0.259
286 HA LEU 37 HA LEU 37 -0.086 1.750 0.337
287 HB2 LEU 37 HB2 LEU 37 0.636 -0.536 2.084
288 HB3 LEU 37 HB1 LEU 37 -0.131 0.893 2.716
289 HG LEU 37 HG LEU 37 -1.229 -1.296 1.066
290 HD11 LEU 37 HD11 LEU 37 -1.591 -1.222 3.394
291 HD12 LEU 37 HD12 LEU 37 -3.135 -0.838 2.578
292 HD13 LEU 37 HD13 LEU 37 -2.140 0.448 3.276
293 HD21 LEU 37 HD21 LEU 37 -3.152 0.104 0.374
294 HD22 LEU 37 HD22 LEU 37 -1.654 0.573 -0.417
295 HD23 LEU 37 HD23 LEU 37 -2.282 1.544 0.920
296 H ARG 38 H ARG 38 3.128 0.552 0.901
297 HA ARG 38 HA ARG 38 4.107 2.254 2.890
298 HB2 ARG 38 HB2 ARG 38 5.531 1.704 0.307
299 HB3 ARG 38 HB1 ARG 38 6.274 2.164 1.819
300 HG2 ARG 38 HG2 ARG 38 5.637 0.010 2.766
301 HG3 ARG 38 HG1 ARG 38 4.910 -0.443 1.223
302 HD2 ARG 38 HD2 ARG 38 7.814 0.180 1.768
303 HD3 ARG 38 HD1 ARG 38 7.128 -1.383 1.325
304 HE ARG 38 HE ARG 38 6.820 0.827 -0.576
305 HH11 ARG 38 HH11 ARG 38 8.529 -2.179 0.228
306 HH12 ARG 38 HH12 ARG 38 9.158 -2.378 -1.332
307 HH21 ARG 38 HH21 ARG 38 7.696 0.541 -2.698
308 HH22 ARG 38 HH22 ARG 38 8.658 -0.806 -3.024
309 H GLU 39 H GLU 39 3.718 2.735 -0.515
310 HA GLU 39 HA GLU 39 4.894 5.290 -0.742
311 HB2 GLU 39 HB2 GLU 39 2.882 4.092 -2.619
312 HB3 GLU 39 HB1 GLU 39 4.210 5.177 -2.990
313 HG2 GLU 39 HG2 GLU 39 4.410 2.270 -2.216
314 HG3 GLU 39 HG1 GLU 39 4.721 2.969 -3.797
315 H ARG 40 H ARG 40 1.700 4.138 0.087
316 HA ARG 40 HA ARG 40 0.545 6.715 -0.528
317 HB2 ARG 40 HB2 ARG 40 -0.499 4.513 -1.154
318 HB3 ARG 40 HB1 ARG 40 -0.820 4.284 0.556
319 HG2 ARG 40 HG2 ARG 40 -2.189 6.259 0.605
320 HG3 ARG 40 HG1 ARG 40 -1.808 6.589 -1.088
321 HD2 ARG 40 HD2 ARG 40 -3.224 4.165 -0.031
322 HD3 ARG 40 HD1 ARG 40 -3.964 5.530 -0.887
323 HE ARG 40 HE ARG 40 -2.022 4.583 -2.553
324 HH11 ARG 40 HH11 ARG 40 -4.938 3.280 -1.091
325 HH12 ARG 40 HH12 ARG 40 -5.223 2.097 -2.280
326 HH21 ARG 40 HH21 ARG 40 -2.354 3.056 -4.213
327 HH22 ARG 40 HH22 ARG 40 -3.714 2.022 -4.185
328 H GLU 41 H GLU 41 1.403 4.710 2.215
329 HA GLU 41 HA GLU 41 0.103 6.499 4.037
330 HB2 GLU 41 HB2 GLU 41 1.038 5.119 5.834
331 HB3 GLU 41 HB1 GLU 41 0.223 4.141 4.631
332 HG2 GLU 41 HG2 GLU 41 2.410 3.553 3.671
333 HG3 GLU 41 HG1 GLU 41 3.190 4.493 4.944
334 H GLN 42 H GLN 42 3.389 5.997 2.888
335 HA GLN 42 HA GLN 42 4.273 8.190 4.576
336 HB2 GLN 42 HB2 GLN 42 5.813 6.458 2.627
337 HB3 GLN 42 HB1 GLN 42 6.524 7.700 3.650
338 HG2 GLN 42 HG2 GLN 42 5.144 5.186 4.574
339 HG3 GLN 42 HG1 GLN 42 6.871 5.515 4.623
340 HE21 GLN 42 1HE2 GLN 42 6.609 8.260 5.522
341 HE22 GLN 42 2HE2 GLN 42 6.070 8.205 7.150
342 H GLY 43 H GLY 43 2.494 8.108 2.115
343 HA2 GLY 43 HA2 GLY 43 3.580 10.571 0.959
344 HA3 GLY 43 HA1 GLY 43 2.908 9.303 -0.076
345 H ARG 44 H ARG 44 1.734 10.012 3.078
346 HA ARG 44 HA ARG 44 -0.937 10.222 2.165
347 HB2 ARG 44 HB2 ARG 44 -0.242 9.239 4.349
348 HB3 ARG 44 HB1 ARG 44 0.231 10.843 4.882
349 HG2 ARG 44 HG2 ARG 44 -1.910 10.325 5.797
350 HG3 ARG 44 HG1 ARG 44 -2.116 11.577 4.566
351 HD2 ARG 44 HD2 ARG 44 -2.710 9.792 2.949
352 HD3 ARG 44 HD1 ARG 44 -2.606 8.640 4.279
353 HE ARG 44 HE ARG 44 -4.377 10.873 4.673
354 HH11 ARG 44 HH11 ARG 44 -4.108 7.472 3.673
355 HH12 ARG 44 HH12 ARG 44 -5.770 7.167 3.876
356 HH21 ARG 44 HH21 ARG 44 -6.606 10.416 4.932
357 HH22 ARG 44 HH22 ARG 44 -7.233 8.862 4.605
358 H GLY 45 H GLY 45 1.413 12.399 3.544
359 HA2 GLY 45 HA2 GLY 45 0.913 14.629 2.094
360 HA3 GLY 45 HA1 GLY 45 -0.275 14.705 3.394
361 H GLU 46 H GLU 46 3.103 14.044 2.838
362 HA GLU 46 HA GLU 46 3.741 14.475 5.563
363 HB2 GLU 46 HB2 GLU 46 5.703 14.341 3.287
364 HB3 GLU 46 HB1 GLU 46 5.994 13.990 4.980
365 HG2 GLU 46 HG2 GLU 46 4.390 12.352 3.027
366 HG3 GLU 46 HG1 GLU 46 5.896 11.914 3.822
367 H ASP 47 H ASP 47 3.556 16.421 2.818
368 HA ASP 47 HA ASP 47 4.820 18.609 4.285
369 HB2 ASP 47 HB2 ASP 47 4.349 18.304 1.324
370 HB3 ASP 47 HB1 ASP 47 4.728 19.862 2.052
371 H VAL 48 H VAL 48 1.929 17.885 2.417
372 HA VAL 48 HA VAL 48 0.658 19.965 4.008
373 HB VAL 48 HB VAL 48 -1.085 20.205 2.192
374 HG11 VAL 48 HG11 VAL 48 0.311 21.600 0.731
375 HG12 VAL 48 HG12 VAL 48 1.755 20.863 1.425
376 HG13 VAL 48 3HG1 VAL 48 0.691 21.841 2.436
377 HG21 VAL 48 HG21 VAL 48 -0.518 19.456 -0.080
378 HG22 VAL 48 HG22 VAL 48 -0.710 18.089 1.020
379 HG23 VAL 48 HG23 VAL 48 0.904 18.626 0.553
380 H ASP 49 H ASP 49 -0.531 19.223 5.539
381 HA ASP 49 HA ASP 49 -2.008 16.748 5.061
382 HB2 ASP 49 HB2 ASP 49 -0.192 16.360 6.685
383 HB3 ASP 49 HB1 ASP 49 -0.816 17.661 7.694
Start of MODEL 15
1 H PCA 1 H PGL 1 -16.409 0.537 3.574
2 HA PCA 1 HA PGL 1 -15.201 2.786 2.978
3 HB2 PCA 1 HB1 PGL 1 -13.275 3.084 4.150
4 HB3 PCA 1 HB2 PGL 1 -12.633 1.536 3.527
5 HG2 PCA 1 HG1 PGL 1 -13.714 2.080 6.161
6 HG3 PCA 1 HG2 PGL 1 -13.091 0.525 5.509
7 H ARG 2 H ARG 2 -15.009 2.797 0.892
8 HA ARG 2 HA ARG 2 -14.007 0.396 -0.469
9 HB2 ARG 2 HB2 ARG 2 -15.807 2.557 -1.581
10 HB3 ARG 2 HB1 ARG 2 -15.282 1.110 -2.413
11 HG2 ARG 2 HG2 ARG 2 -16.552 -0.272 -0.878
12 HG3 ARG 2 HG1 ARG 2 -17.051 1.164 0.023
13 HD2 ARG 2 HD2 ARG 2 -17.693 0.521 -2.851
14 HD3 ARG 2 HD1 ARG 2 -18.810 0.470 -1.487
15 HE ARG 2 HE ARG 2 -17.699 3.006 -1.588
16 HH11 ARG 2 HH11 ARG 2 -19.932 1.012 -3.461
17 HH12 ARG 2 HH12 ARG 2 -20.703 2.313 -4.232
18 HH21 ARG 2 HH21 ARG 2 -18.717 4.823 -2.665
19 HH22 ARG 2 HH22 ARG 2 -20.003 4.551 -3.757
20 H GLY 3 H GLY 3 -12.237 0.659 -1.718
21 HA2 GLY 3 HA2 GLY 3 -10.601 1.684 -2.950
22 HA3 GLY 3 HA1 GLY 3 -11.523 3.177 -2.873
23 H SER 4 H SER 4 -11.115 2.085 0.207
24 HA SER 4 HA SER 4 -9.045 4.024 0.656
25 HB2 SER 4 HB2 SER 4 -10.731 2.431 2.591
26 HB3 SER 4 HB1 SER 4 -9.641 3.756 3.028
27 HG SER 4 HG SER 4 -10.882 4.952 1.398
28 HA PRO 5 HA PRO 5 -5.567 1.384 0.477
29 HB2 PRO 5 HB2 PRO 5 -4.375 2.428 2.839
30 HB3 PRO 5 HB1 PRO 5 -3.977 2.816 1.175
31 HG2 PRO 5 HG2 PRO 5 -5.629 4.292 3.109
32 HG3 PRO 5 HG1 PRO 5 -4.838 4.874 1.642
33 HD2 PRO 5 HD2 PRO 5 -7.507 4.589 1.874
34 HD3 PRO 5 HD1 PRO 5 -6.644 4.403 0.334
35 H ARG 6 H ARG 6 -6.590 1.841 3.858
36 HA ARG 6 HA ARG 6 -5.387 -0.535 4.810
37 HB2 ARG 6 HB2 ARG 6 -5.881 1.303 6.295
38 HB3 ARG 6 HB1 ARG 6 -7.591 1.181 5.948
39 HG2 ARG 6 HG2 ARG 6 -7.715 -0.929 7.093
40 HG3 ARG 6 HG1 ARG 6 -5.969 -0.921 7.359
41 HD2 ARG 6 HD2 ARG 6 -7.896 1.160 8.386
42 HD3 ARG 6 HD1 ARG 6 -7.243 -0.164 9.346
43 HE ARG 6 HE ARG 6 -5.004 0.876 8.627
44 HH11 ARG 6 HH11 ARG 6 -7.910 2.772 9.363
45 HH12 ARG 6 HH12 ARG 6 -7.070 4.066 10.072
46 HH21 ARG 6 HH21 ARG 6 -3.844 2.691 9.600
47 HH22 ARG 6 HH22 ARG 6 -4.700 4.030 10.168
48 H ALA 7 H ALA 7 -8.701 0.177 3.866
49 HA ALA 7 HA ALA 7 -9.736 -2.374 4.428
50 HB1 ALA 7 HB1 ALA 7 -11.169 -0.418 4.097
51 HB2 ALA 7 HB2 ALA 7 -11.610 -1.715 2.986
52 HB3 ALA 7 HB3 ALA 7 -10.674 -0.336 2.407
53 H GLU 8 H GLU 8 -8.474 -0.933 1.427
54 HA GLU 8 HA GLU 8 -8.871 -3.213 -0.165
55 HB2 GLU 8 HB2 GLU 8 -6.891 -0.973 -0.512
56 HB3 GLU 8 HB1 GLU 8 -7.137 -2.246 -1.690
57 HG2 GLU 8 HG2 GLU 8 -9.583 -1.499 -1.705
58 HG3 GLU 8 HG1 GLU 8 -8.997 -0.049 -0.883
59 H TYR 9 H TYR 9 -6.279 -2.328 1.968
60 HA TYR 9 HA TYR 9 -4.367 -4.197 1.171
61 HB2 TYR 9 HB2 TYR 9 -3.841 -2.441 2.781
62 HB3 TYR 9 HB1 TYR 9 -4.982 -3.122 3.929
63 HD1 TYR 9 HD1 TYR 9 -4.221 -4.564 5.547
64 HD2 TYR 9 HD2 TYR 9 -1.896 -4.027 2.041
65 HE1 TYR 9 HE1 TYR 9 -2.475 -5.970 6.517
66 HE2 TYR 9 HE2 TYR 9 -0.114 -5.414 2.984
67 HH TYR 9 HH TYR 9 0.709 -6.168 5.135
68 H GLU 10 H GLU 10 -6.952 -4.437 3.566
69 HA GLU 10 HA GLU 10 -6.371 -7.110 4.240
70 HB2 GLU 10 HB2 GLU 10 -9.003 -5.693 4.570
71 HB3 GLU 10 HB1 GLU 10 -8.400 -7.094 5.460
72 HG2 GLU 10 HG2 GLU 10 -6.640 -5.697 6.424
73 HG3 GLU 10 HG1 GLU 10 -7.322 -4.299 5.594
74 H VAL 11 H VAL 11 -8.666 -5.608 2.014
75 HA VAL 11 HA VAL 11 -9.994 -7.947 1.192
76 HB VAL 11 HB VAL 11 -9.505 -5.404 -0.407
77 HG11 VAL 11 HG11 VAL 11 -10.087 -7.256 -1.905
78 HG12 VAL 11 HG12 VAL 11 -11.410 -6.095 -1.800
79 HG13 VAL 11 3HG1 VAL 11 -11.501 -7.619 -0.917
80 HG21 VAL 11 HG21 VAL 11 -11.888 -6.300 1.209
81 HG22 VAL 11 HG22 VAL 11 -11.783 -4.819 0.254
82 HG23 VAL 11 HG23 VAL 11 -10.741 -5.039 1.661
83 H CYS 12 H CYS 12 -7.114 -6.376 -0.106
84 HA CYS 12 HA CYS 12 -6.600 -8.029 -2.280
85 HB2 CYS 12 HB2 CYS 12 -5.430 -5.877 -1.712
86 HB3 CYS 12 HB1 CYS 12 -4.575 -6.731 -0.444
87 H ARG 13 H ARG 13 -5.713 -8.410 1.120
88 HA ARG 13 HA ARG 13 -4.213 -10.833 0.789
89 HB2 ARG 13 HB2 ARG 13 -5.644 -9.790 3.240
90 HB3 ARG 13 HB1 ARG 13 -4.409 -11.039 3.228
91 HG2 ARG 13 HG2 ARG 13 -2.738 -9.431 2.568
92 HG3 ARG 13 HG1 ARG 13 -3.968 -8.178 2.399
93 HD2 ARG 13 HD2 ARG 13 -2.853 -7.866 4.501
94 HD3 ARG 13 HD1 ARG 13 -4.490 -8.431 4.813
95 HE ARG 13 HE ARG 13 -2.091 -10.141 4.954
96 HH11 ARG 13 HH11 ARG 13 -5.359 -9.358 6.156
97 HH12 ARG 13 HH12 ARG 13 -5.249 -10.402 7.467
98 HH21 ARG 13 HH21 ARG 13 -1.963 -11.524 6.675
99 HH22 ARG 13 HH22 ARG 13 -3.253 -11.703 7.805
100 H LEU 14 H LEU 14 -7.521 -10.048 1.708
101 HA LEU 14 HA LEU 14 -8.519 -12.544 2.343
102 HB2 LEU 14 HB2 LEU 14 -9.698 -10.448 2.756
103 HB3 LEU 14 HB1 LEU 14 -9.914 -10.215 1.037
104 HG LEU 14 HG LEU 14 -11.368 -12.225 0.975
105 HD11 LEU 14 HD11 LEU 14 -10.488 -13.417 2.892
106 HD12 LEU 14 HD12 LEU 14 -12.219 -13.140 3.070
107 HD13 LEU 14 HD13 LEU 14 -11.072 -12.150 3.971
108 HD21 LEU 14 HD21 LEU 14 -12.336 -9.998 1.169
109 HD22 LEU 14 HD22 LEU 14 -12.200 -10.081 2.926
110 HD23 LEU 14 HD23 LEU 14 -13.287 -11.176 2.075
111 H ARG 15 H ARG 15 -8.377 -10.952 -0.810
112 HA ARG 15 HA ARG 15 -9.758 -12.842 -2.328
113 HB2 ARG 15 HB2 ARG 15 -7.397 -11.187 -3.208
114 HB3 ARG 15 HB1 ARG 15 -8.503 -12.014 -4.289
115 HG2 ARG 15 HG2 ARG 15 -10.336 -10.589 -3.409
116 HG3 ARG 15 HG1 ARG 15 -9.139 -9.722 -2.446
117 HD2 ARG 15 HD2 ARG 15 -9.261 -9.913 -5.453
118 HD3 ARG 15 HD1 ARG 15 -9.573 -8.486 -4.463
119 HE ARG 15 HE ARG 15 -6.944 -9.683 -4.230
120 HH11 ARG 15 HH11 ARG 15 -8.884 -7.183 -5.815
121 HH12 ARG 15 HH12 ARG 15 -7.558 -6.203 -6.212
122 HH21 ARG 15 HH21 ARG 15 -5.133 -8.416 -4.845
123 HH22 ARG 15 HH22 ARG 15 -5.336 -6.947 -5.682
124 H CYS 16 H CYS 16 -6.307 -12.691 -1.575
125 HA CYS 16 HA CYS 16 -5.669 -15.041 -2.998
126 HB2 CYS 16 HB2 CYS 16 -4.194 -13.474 -0.915
127 HB3 CYS 16 HB1 CYS 16 -3.523 -14.937 -1.611
128 H GLN 17 H GLN 17 -6.697 -14.457 0.292
129 HA GLN 17 HA GLN 17 -5.990 -16.969 1.369
130 HB2 GLN 17 HB2 GLN 17 -8.232 -15.105 2.149
131 HB3 GLN 17 HB1 GLN 17 -7.742 -16.506 3.086
132 HG2 GLN 17 HG2 GLN 17 -5.512 -15.501 3.375
133 HG3 GLN 17 HG1 GLN 17 -6.059 -14.091 2.476
134 HE21 GLN 17 1HE2 GLN 17 -8.740 -14.141 3.684
135 HE22 GLN 17 2HE2 GLN 17 -8.521 -13.577 5.296
136 H VAL 18 H VAL 18 -8.697 -15.902 -0.489
137 HA VAL 18 HA VAL 18 -10.154 -18.366 -0.136
138 HB VAL 18 HB VAL 18 -10.672 -16.085 -2.074
139 HG11 VAL 18 HG11 VAL 18 -11.795 -18.136 -2.750
140 HG12 VAL 18 HG12 VAL 18 -12.965 -16.947 -2.176
141 HG13 VAL 18 3HG1 VAL 18 -12.499 -18.296 -1.141
142 HG21 VAL 18 HG21 VAL 18 -11.853 -16.593 0.651
143 HG22 VAL 18 HG22 VAL 18 -12.360 -15.325 -0.465
144 HG23 VAL 18 HG23 VAL 18 -10.736 -15.297 0.224
145 H ALA 19 H ALA 19 -7.857 -17.028 -2.355
146 HA ALA 19 HA ALA 19 -8.455 -18.877 -4.479
147 HB1 ALA 19 HB1 ALA 19 -6.571 -17.872 -5.632
148 HB2 ALA 19 HB2 ALA 19 -6.099 -17.039 -4.151
149 HB3 ALA 19 HB3 ALA 19 -7.616 -16.624 -4.949
150 H GLU 20 H GLU 20 -5.700 -18.481 -2.216
151 HA GLU 20 HA GLU 20 -5.218 -21.342 -2.495
152 HB2 GLU 20 HB2 GLU 20 -3.055 -19.215 -2.593
153 HB3 GLU 20 HB1 GLU 20 -2.757 -20.932 -2.429
154 HG2 GLU 20 HG2 GLU 20 -3.730 -21.315 -4.644
155 HG3 GLU 20 HG1 GLU 20 -4.032 -19.587 -4.805
156 H ARG 21 H ARG 21 -4.483 -22.274 -0.607
157 HA ARG 21 HA ARG 21 -4.732 -20.527 1.730
158 HB2 ARG 21 HB2 ARG 21 -4.987 -23.518 1.488
159 HB3 ARG 21 HB1 ARG 21 -5.086 -22.636 3.004
160 HG2 ARG 21 HG2 ARG 21 -7.049 -21.439 2.185
161 HG3 ARG 21 HG1 ARG 21 -6.944 -22.319 0.658
162 HD2 ARG 21 HD2 ARG 21 -8.604 -23.317 2.150
163 HD3 ARG 21 HD1 ARG 21 -7.266 -24.419 1.832
164 HE ARG 21 HE ARG 21 -6.895 -22.862 4.202
165 HH11 ARG 21 HH11 ARG 21 -8.407 -25.818 2.942
166 HH12 ARG 21 HH12 ARG 21 -8.457 -26.584 4.461
167 HH21 ARG 21 HH21 ARG 21 -6.931 -23.954 6.279
168 HH22 ARG 21 HH22 ARG 21 -7.594 -25.523 6.366
169 H GLY 22 H GLY 22 -2.383 -21.373 -0.081
170 HA2 GLY 22 HA2 GLY 22 -0.535 -22.625 1.731
171 HA3 GLY 22 HA1 GLY 22 -0.135 -21.904 0.175
172 H VAL 23 H VAL 23 0.979 -21.731 2.990
173 HA VAL 23 HA VAL 23 0.513 -19.172 4.054
174 HB VAL 23 HB VAL 23 2.939 -20.959 4.393
175 HG11 VAL 23 HG11 VAL 23 3.357 -19.701 6.461
176 HG12 VAL 23 HG12 VAL 23 2.025 -18.616 6.064
177 HG13 VAL 23 3HG1 VAL 23 3.457 -18.662 5.039
178 HG21 VAL 23 HG21 VAL 23 0.462 -20.648 6.089
179 HG22 VAL 23 HG22 VAL 23 1.865 -21.631 6.496
180 HG23 VAL 23 HG23 VAL 23 0.877 -22.045 5.094
181 H GLU 24 H GLU 24 3.035 -20.371 1.910
182 HA GLU 24 HA GLU 24 4.432 -17.894 1.847
183 HB2 GLU 24 HB2 GLU 24 4.575 -20.234 -0.056
184 HB3 GLU 24 HB1 GLU 24 5.675 -18.868 -0.043
185 HG2 GLU 24 HG2 GLU 24 6.373 -19.452 2.225
186 HG3 GLU 24 HG1 GLU 24 5.290 -20.840 2.189
187 H GLN 25 H GLN 25 2.045 -19.433 -0.162
188 HA GLN 25 HA GLN 25 2.072 -17.623 -2.308
189 HB2 GLN 25 HB2 GLN 25 -0.200 -19.272 -1.223
190 HB3 GLN 25 HB1 GLN 25 -0.254 -18.390 -2.743
191 HG2 GLN 25 HG2 GLN 25 1.637 -20.616 -2.051
192 HG3 GLN 25 HG1 GLN 25 0.227 -20.720 -3.108
193 HE21 GLN 25 1HE2 GLN 25 0.292 -19.691 -5.103
194 HE22 GLN 25 2HE2 GLN 25 1.786 -19.257 -5.861
195 H GLN 26 H GLN 26 0.062 -17.637 0.607
196 HA GLN 26 HA GLN 26 -1.263 -15.208 -0.075
197 HB2 GLN 26 HB2 GLN 26 -0.920 -16.418 2.665
198 HB3 GLN 26 HB1 GLN 26 -2.133 -15.245 2.169
199 HG2 GLN 26 HG2 GLN 26 -3.122 -16.907 0.677
200 HG3 GLN 26 HG1 GLN 26 -1.909 -18.078 1.189
201 HE21 GLN 26 1HE2 GLN 26 -4.684 -18.348 1.401
202 HE22 GLN 26 2HE2 GLN 26 -5.097 -18.496 3.067
203 H ARG 27 H ARG 27 1.686 -15.970 1.729
204 HA ARG 27 HA ARG 27 2.010 -13.365 2.738
205 HB2 ARG 27 HB2 ARG 27 3.130 -15.311 3.695
206 HB3 ARG 27 HB1 ARG 27 4.058 -15.509 2.221
207 HG2 ARG 27 HG2 ARG 27 5.294 -13.548 2.619
208 HG3 ARG 27 HG1 ARG 27 4.205 -13.030 3.908
209 HD2 ARG 27 HD2 ARG 27 6.213 -13.972 4.886
210 HD3 ARG 27 HD1 ARG 27 4.799 -15.003 5.166
211 HE ARG 27 HE ARG 27 6.477 -15.639 2.902
212 HH11 ARG 27 HH11 ARG 27 5.491 -16.406 6.206
213 HH12 ARG 27 HH12 ARG 27 6.158 -17.971 6.215
214 HH21 ARG 27 HH21 ARG 27 7.463 -17.802 2.915
215 HH22 ARG 27 HH22 ARG 27 7.329 -18.775 4.305
216 H LYS 28 H LYS 28 3.068 -14.939 -0.242
217 HA LYS 28 HA LYS 28 4.592 -12.846 -1.308
218 HB2 LYS 28 HB2 LYS 28 2.772 -14.822 -2.711
219 HB3 LYS 28 HB1 LYS 28 3.843 -13.737 -3.569
220 HG2 LYS 28 HG2 LYS 28 4.669 -15.929 -1.668
221 HG3 LYS 28 HG1 LYS 28 4.764 -15.985 -3.428
222 HD2 LYS 28 HD2 LYS 28 6.331 -14.067 -3.363
223 HD3 LYS 28 HD1 LYS 28 6.261 -14.110 -1.601
224 HE2 LYS 28 HE2 LYS 28 7.133 -16.423 -1.653
225 HE3 LYS 28 HE1 LYS 28 7.257 -16.310 -3.404
226 HZ1 LYS 28 HZ1 LYS 28 9.386 -15.859 -2.359
227 HZ2 LYS 28 HZ2 LYS 28 8.707 -14.612 -1.453
228 HZ3 LYS 28 HZ3 LYS 28 8.818 -14.455 -3.111
229 H CYS 29 H CYS 29 1.147 -13.498 -1.445
230 HA CYS 29 HA CYS 29 0.325 -11.239 -2.843
231 HB2 CYS 29 HB2 CYS 29 -1.035 -12.940 -0.791
232 HB3 CYS 29 HB1 CYS 29 -1.876 -11.607 -1.551
233 H GLU 30 H GLU 30 0.459 -11.717 0.710
234 HA GLU 30 HA GLU 30 -0.476 -9.259 1.538
235 HB2 GLU 30 HB2 GLU 30 1.702 -10.900 2.832
236 HB3 GLU 30 HB1 GLU 30 0.854 -9.572 3.602
237 HG2 GLU 30 HG2 GLU 30 -1.243 -10.823 3.427
238 HG3 GLU 30 HG1 GLU 30 -0.369 -12.157 2.674
239 H GLN 31 H GLN 31 2.827 -10.138 0.754
240 HA GLN 31 HA GLN 31 4.010 -7.684 1.390
241 HB2 GLN 31 HB2 GLN 31 4.858 -9.858 -0.501
242 HB3 GLN 31 HB1 GLN 31 5.868 -8.477 -0.087
243 HG2 GLN 31 HG2 GLN 31 5.927 -9.116 2.198
244 HG3 GLN 31 HG1 GLN 31 4.749 -10.400 1.926
245 HE21 GLN 31 1HE2 GLN 31 5.388 -12.226 0.904
246 HE22 GLN 31 2HE2 GLN 31 7.056 -12.662 0.713
247 H VAL 32 H VAL 32 2.821 -8.882 -1.754
248 HA VAL 32 HA VAL 32 3.534 -6.559 -3.196
249 HB VAL 32 HB VAL 32 1.336 -8.582 -3.772
250 HG11 VAL 32 HG11 VAL 32 1.384 -7.751 -6.074
251 HG12 VAL 32 HG12 VAL 32 2.554 -6.518 -5.611
252 HG13 VAL 32 3HG1 VAL 32 0.916 -6.469 -4.956
253 HG21 VAL 32 HG21 VAL 32 2.946 -9.495 -5.380
254 HG22 VAL 32 HG22 VAL 32 3.555 -9.555 -3.725
255 HG23 VAL 32 HG23 VAL 32 4.141 -8.318 -4.837
256 H CYS 33 H CYS 33 0.564 -7.517 -1.565
257 HA CYS 33 HA CYS 33 -0.985 -5.262 -2.181
258 HB2 CYS 33 HB2 CYS 33 -1.097 -6.905 0.361
259 HB3 CYS 33 HB1 CYS 33 -2.381 -5.895 -0.286
260 H GLU 34 H GLU 34 1.420 -5.837 0.317
261 HA GLU 34 HA GLU 34 0.829 -3.497 1.804
262 HB2 GLU 34 HB2 GLU 34 1.871 -5.683 2.628
263 HB3 GLU 34 HB1 GLU 34 3.357 -5.108 1.905
264 HG2 GLU 34 HG2 GLU 34 3.487 -3.276 3.390
265 HG3 GLU 34 HG1 GLU 34 1.846 -3.560 3.976
266 H GLU 35 H GLU 35 3.057 -4.288 -0.805
267 HA GLU 35 HA GLU 35 4.535 -1.879 -0.567
268 HB2 GLU 35 HB2 GLU 35 4.184 -3.655 -2.984
269 HB3 GLU 35 HB1 GLU 35 5.322 -2.319 -2.885
270 HG2 GLU 35 HG2 GLU 35 5.334 -4.842 -1.254
271 HG3 GLU 35 HG1 GLU 35 6.475 -4.378 -2.513
272 H ARG 36 H ARG 36 1.596 -2.737 -2.214
273 HA ARG 36 HA ARG 36 1.281 -0.294 -3.601
274 HB2 ARG 36 HB2 ARG 36 -0.110 -2.231 -4.139
275 HB3 ARG 36 HB1 ARG 36 -0.827 -2.182 -2.534
276 HG2 ARG 36 HG2 ARG 36 -1.811 -0.012 -3.018
277 HG3 ARG 36 HG1 ARG 36 -1.074 -0.023 -4.617
278 HD2 ARG 36 HD2 ARG 36 -3.414 -0.649 -4.684
279 HD3 ARG 36 HD1 ARG 36 -2.383 -1.974 -5.223
280 HE ARG 36 HE ARG 36 -2.682 -2.707 -2.768
281 HH11 ARG 36 HH11 ARG 36 -5.160 -1.165 -4.789
282 HH12 ARG 36 HH12 ARG 36 -6.482 -1.976 -4.120
283 HH21 ARG 36 HH21 ARG 36 -4.503 -3.944 -1.873
284 HH22 ARG 36 HH22 ARG 36 -6.073 -3.690 -2.454
285 H LEU 37 H LEU 37 0.427 -1.373 -0.404
286 HA LEU 37 HA LEU 37 -0.892 0.966 0.462
287 HB2 LEU 37 HB2 LEU 37 0.354 -1.402 1.758
288 HB3 LEU 37 HB1 LEU 37 0.020 -0.020 2.769
289 HG LEU 37 HG LEU 37 -1.719 -1.933 2.650
290 HD11 LEU 37 HD11 LEU 37 -3.543 -0.336 2.931
291 HD12 LEU 37 HD12 LEU 37 -2.557 0.917 2.193
292 HD13 LEU 37 HD13 LEU 37 -2.081 0.220 3.745
293 HD21 LEU 37 HD21 LEU 37 -3.426 -1.681 0.897
294 HD22 LEU 37 HD22 LEU 37 -1.863 -2.114 0.208
295 HD23 LEU 37 HD23 LEU 37 -2.437 -0.454 0.109
296 H ARG 38 H ARG 38 2.413 -0.088 0.578
297 HA ARG 38 HA ARG 38 3.639 1.972 1.948
298 HB2 ARG 38 HB2 ARG 38 4.763 -0.082 1.310
299 HB3 ARG 38 HB1 ARG 38 4.648 0.360 -0.383
300 HG2 ARG 38 HG2 ARG 38 6.137 2.247 0.002
301 HG3 ARG 38 HG1 ARG 38 6.253 1.811 1.708
302 HD2 ARG 38 HD2 ARG 38 7.167 -0.369 1.077
303 HD3 ARG 38 HD1 ARG 38 7.073 0.089 -0.622
304 HE ARG 38 HE ARG 38 8.530 2.031 0.714
305 HH11 ARG 38 HH11 ARG 38 8.867 -1.414 -0.187
306 HH12 ARG 38 HH12 ARG 38 10.570 -1.340 -0.206
307 HH21 ARG 38 HH21 ARG 38 10.826 2.090 0.629
308 HH22 ARG 38 HH22 ARG 38 11.725 0.691 0.280
309 H GLU 39 H GLU 39 3.055 1.742 -1.581
310 HA GLU 39 HA GLU 39 4.209 4.270 -2.057
311 HB2 GLU 39 HB2 GLU 39 3.246 4.154 -4.344
312 HB3 GLU 39 HB1 GLU 39 4.105 2.700 -3.887
313 HG2 GLU 39 HG2 GLU 39 2.018 1.559 -3.497
314 HG3 GLU 39 HG1 GLU 39 1.123 3.022 -3.893
315 H ARG 40 H ARG 40 0.994 3.283 -1.291
316 HA ARG 40 HA ARG 40 -0.107 5.850 -1.907
317 HB2 ARG 40 HB2 ARG 40 -1.373 3.676 -2.128
318 HB3 ARG 40 HB1 ARG 40 -1.442 3.617 -0.378
319 HG2 ARG 40 HG2 ARG 40 -2.716 5.674 -0.313
320 HG3 ARG 40 HG1 ARG 40 -2.591 5.835 -2.061
321 HD2 ARG 40 HD2 ARG 40 -3.956 3.575 -0.606
322 HD3 ARG 40 HD1 ARG 40 -4.770 4.955 -1.333
323 HE ARG 40 HE ARG 40 -3.195 3.696 -3.273
324 HH11 ARG 40 HH11 ARG 40 -6.179 3.149 -1.455
325 HH12 ARG 40 HH12 ARG 40 -6.834 2.033 -2.568
326 HH21 ARG 40 HH21 ARG 40 -4.131 2.241 -4.849
327 HH22 ARG 40 HH22 ARG 40 -5.658 1.556 -4.566
328 H GLU 41 H GLU 41 1.582 4.640 0.808
329 HA GLU 41 HA GLU 41 0.307 6.684 2.479
330 HB2 GLU 41 HB2 GLU 41 1.428 5.743 4.427
331 HB3 GLU 41 HB1 GLU 41 0.472 4.526 3.613
332 HG2 GLU 41 HG2 GLU 41 2.445 3.527 2.698
333 HG3 GLU 41 HG1 GLU 41 3.449 4.839 3.319
334 H GLN 42 H GLN 42 3.148 6.139 0.703
335 HA GLN 42 HA GLN 42 4.708 8.004 2.287
336 HB2 GLN 42 HB2 GLN 42 6.545 7.462 0.857
337 HB3 GLN 42 HB1 GLN 42 5.694 5.968 1.185
338 HG2 GLN 42 HG2 GLN 42 4.563 6.223 -1.035
339 HG3 GLN 42 HG1 GLN 42 5.639 7.581 -1.354
340 HE21 GLN 42 1HE2 GLN 42 5.523 5.230 -2.878
341 HE22 GLN 42 2HE2 GLN 42 7.030 4.401 -2.731
342 H GLY 43 H GLY 43 2.491 8.106 -0.171
343 HA2 GLY 43 HA2 GLY 43 2.659 10.923 -0.404
344 HA3 GLY 43 HA1 GLY 43 3.031 10.058 -1.908
345 H ARG 44 H ARG 44 0.622 11.617 -1.455
346 HA ARG 44 HA ARG 44 -1.403 9.692 -0.859
347 HB2 ARG 44 HB2 ARG 44 -1.717 12.413 -2.147
348 HB3 ARG 44 HB1 ARG 44 -3.029 11.412 -1.536
349 HG2 ARG 44 HG2 ARG 44 -1.967 11.533 0.723
350 HG3 ARG 44 HG1 ARG 44 -0.833 12.707 0.055
351 HD2 ARG 44 HD2 ARG 44 -2.578 13.924 1.130
352 HD3 ARG 44 HD1 ARG 44 -2.799 14.092 -0.611
353 HE ARG 44 HE ARG 44 -4.280 11.910 0.431
354 HH11 ARG 44 HH11 ARG 44 -4.351 15.445 0.098
355 HH12 ARG 44 HH12 ARG 44 -6.044 15.580 0.216
356 HH21 ARG 44 HH21 ARG 44 -6.619 12.103 0.651
357 HH22 ARG 44 HH22 ARG 44 -7.358 13.629 0.586
358 H GLY 45 H GLY 45 -1.587 8.067 -2.052
359 HA2 GLY 45 HA2 GLY 45 -2.355 6.928 -3.980
360 HA3 GLY 45 HA1 GLY 45 -1.909 8.337 -4.953
361 H GLU 46 H GLU 46 0.451 8.951 -4.424
362 HA GLU 46 HA GLU 46 2.451 7.153 -3.837
363 HB2 GLU 46 HB2 GLU 46 1.941 6.003 -5.957
364 HB3 GLU 46 HB1 GLU 46 1.900 7.528 -6.821
365 HG2 GLU 46 HG2 GLU 46 3.933 6.246 -7.310
366 HG3 GLU 46 HG1 GLU 46 4.300 7.785 -6.547
367 H ASP 47 H ASP 47 4.451 8.278 -4.016
368 HA ASP 47 HA ASP 47 4.030 11.181 -4.060
369 HB2 ASP 47 HB2 ASP 47 5.254 10.198 -2.125
370 HB3 ASP 47 HB1 ASP 47 6.506 9.658 -3.237
371 H VAL 48 H VAL 48 6.438 8.889 -5.375
372 HA VAL 48 HA VAL 48 6.443 10.504 -7.787
373 HB VAL 48 HB VAL 48 8.439 11.184 -6.488
374 HG11 VAL 48 HG11 VAL 48 9.293 8.306 -6.656
375 HG12 VAL 48 HG12 VAL 48 8.876 9.207 -5.198
376 HG13 VAL 48 3HG1 VAL 48 10.314 9.641 -6.122
377 HG21 VAL 48 HG21 VAL 48 8.591 11.278 -8.902
378 HG22 VAL 48 HG22 VAL 48 9.106 9.594 -8.963
379 HG23 VAL 48 HG23 VAL 48 10.153 10.809 -8.229
380 H ASP 49 H ASP 49 6.419 9.365 -9.618
381 HA ASP 49 HA ASP 49 6.009 6.531 -9.442
382 HB2 ASP 49 HB2 ASP 49 5.923 8.508 -11.717
383 HB3 ASP 49 HB1 ASP 49 5.841 6.779 -12.003
Start of MODEL 16
1 H PCA 1 H PGL 1 -10.869 9.023 -3.543
2 HA PCA 1 HA PGL 1 -12.124 10.374 -1.686
3 HB2 PCA 1 HB1 PGL 1 -14.195 11.035 -2.322
4 HB3 PCA 1 HB2 PGL 1 -14.688 9.332 -2.528
5 HG2 PCA 1 HG1 PGL 1 -14.046 11.262 -4.589
6 HG3 PCA 1 HG2 PGL 1 -14.544 9.546 -4.776
7 H ARG 2 H ARG 2 -12.515 7.272 -3.182
8 HA ARG 2 HA ARG 2 -12.996 6.128 -0.510
9 HB2 ARG 2 HB2 ARG 2 -13.884 5.054 -3.181
10 HB3 ARG 2 HB1 ARG 2 -14.078 4.216 -1.648
11 HG2 ARG 2 HG2 ARG 2 -15.478 6.088 -0.856
12 HG3 ARG 2 HG1 ARG 2 -15.338 6.821 -2.454
13 HD2 ARG 2 HD2 ARG 2 -16.498 4.110 -1.858
14 HD3 ARG 2 HD1 ARG 2 -17.426 5.568 -2.198
15 HE ARG 2 HE ARG 2 -15.564 4.965 -4.274
16 HH11 ARG 2 HH11 ARG 2 -18.732 4.061 -3.001
17 HH12 ARG 2 HH12 ARG 2 -19.363 3.577 -4.499
18 HH21 ARG 2 HH21 ARG 2 -16.391 4.264 -6.329
19 HH22 ARG 2 HH22 ARG 2 -17.984 3.663 -6.434
20 H GLY 3 H GLY 3 -10.594 6.694 -2.387
21 HA2 GLY 3 HA2 GLY 3 -9.475 4.053 -2.722
22 HA3 GLY 3 HA1 GLY 3 -8.707 5.593 -3.109
23 H SER 4 H SER 4 -9.973 3.953 -0.314
24 HA SER 4 HA SER 4 -8.121 5.151 1.467
25 HB2 SER 4 HB2 SER 4 -10.010 2.851 1.904
26 HB3 SER 4 HB1 SER 4 -9.336 3.948 3.118
27 HG SER 4 HG SER 4 -10.387 5.631 1.694
28 HA PRO 5 HA PRO 5 -4.781 2.273 0.826
29 HB2 PRO 5 HB2 PRO 5 -4.274 2.724 3.717
30 HB3 PRO 5 HB1 PRO 5 -3.174 2.889 2.348
31 HG2 PRO 5 HG2 PRO 5 -4.189 5.040 3.543
32 HG3 PRO 5 HG1 PRO 5 -3.968 4.985 1.787
33 HD2 PRO 5 HD2 PRO 5 -6.473 4.739 3.384
34 HD3 PRO 5 HD1 PRO 5 -6.189 5.487 1.799
35 H ARG 6 H ARG 6 -6.489 1.882 3.989
36 HA ARG 6 HA ARG 6 -5.693 -0.834 4.122
37 HB2 ARG 6 HB2 ARG 6 -6.979 -1.110 6.112
38 HB3 ARG 6 HB1 ARG 6 -6.234 0.474 6.179
39 HG2 ARG 6 HG2 ARG 6 -8.348 1.521 5.649
40 HG3 ARG 6 HG1 ARG 6 -9.097 -0.060 5.414
41 HD2 ARG 6 HD2 ARG 6 -7.934 0.993 7.993
42 HD3 ARG 6 HD1 ARG 6 -9.649 0.828 7.619
43 HE ARG 6 HE ARG 6 -8.775 -1.690 7.280
44 HH11 ARG 6 HH11 ARG 6 -8.363 0.577 9.974
45 HH12 ARG 6 HH12 ARG 6 -8.153 -0.618 11.154
46 HH21 ARG 6 HH21 ARG 6 -8.441 -3.357 8.899
47 HH22 ARG 6 HH22 ARG 6 -8.185 -2.912 10.528
48 H ALA 7 H ALA 7 -8.299 0.689 2.576
49 HA ALA 7 HA ALA 7 -10.110 -1.493 2.514
50 HB1 ALA 7 HB1 ALA 7 -11.137 -0.329 0.596
51 HB2 ALA 7 HB2 ALA 7 -9.758 0.770 0.533
52 HB3 ALA 7 HB3 ALA 7 -10.829 0.776 1.936
53 H GLU 8 H GLU 8 -7.793 -0.269 0.152
54 HA GLU 8 HA GLU 8 -7.891 -2.469 -1.601
55 HB2 GLU 8 HB2 GLU 8 -5.783 -0.371 -1.110
56 HB3 GLU 8 HB1 GLU 8 -5.678 -1.563 -2.397
57 HG2 GLU 8 HG2 GLU 8 -7.929 0.405 -2.087
58 HG3 GLU 8 HG1 GLU 8 -6.523 0.646 -3.126
59 H TYR 9 H TYR 9 -6.114 -1.811 1.272
60 HA TYR 9 HA TYR 9 -4.037 -3.693 1.090
61 HB2 TYR 9 HB2 TYR 9 -4.251 -1.767 2.685
62 HB3 TYR 9 HB1 TYR 9 -5.423 -2.736 3.564
63 HD1 TYR 9 HD1 TYR 9 -1.959 -2.537 2.509
64 HD2 TYR 9 HD2 TYR 9 -4.702 -4.376 5.136
65 HE1 TYR 9 HE1 TYR 9 -0.122 -3.367 3.726
66 HE2 TYR 9 HE2 TYR 9 -2.844 -5.298 6.439
67 HH TYR 9 HH TYR 9 0.266 -4.167 6.140
68 H GLU 10 H GLU 10 -7.021 -3.844 3.025
69 HA GLU 10 HA GLU 10 -6.493 -6.475 3.846
70 HB2 GLU 10 HB2 GLU 10 -9.040 -4.900 4.057
71 HB3 GLU 10 HB1 GLU 10 -8.645 -6.365 4.960
72 HG2 GLU 10 HG2 GLU 10 -6.799 -5.245 6.034
73 HG3 GLU 10 HG1 GLU 10 -7.110 -3.786 5.103
74 H VAL 11 H VAL 11 -8.606 -5.190 1.293
75 HA VAL 11 HA VAL 11 -9.818 -7.690 0.753
76 HB VAL 11 HB VAL 11 -9.433 -5.338 -1.143
77 HG11 VAL 11 HG11 VAL 11 -11.299 -6.291 -2.426
78 HG12 VAL 11 HG12 VAL 11 -11.348 -7.671 -1.330
79 HG13 VAL 11 3HG1 VAL 11 -9.938 -7.413 -2.356
80 HG21 VAL 11 HG21 VAL 11 -10.688 -4.725 0.855
81 HG22 VAL 11 HG22 VAL 11 -11.780 -6.088 0.603
82 HG23 VAL 11 HG23 VAL 11 -11.748 -4.759 -0.555
83 H CYS 12 H CYS 12 -6.922 -6.126 -0.484
84 HA CYS 12 HA CYS 12 -6.114 -7.945 -2.434
85 HB2 CYS 12 HB2 CYS 12 -5.013 -5.808 -2.134
86 HB3 CYS 12 HB1 CYS 12 -4.538 -6.231 -0.504
87 H ARG 13 H ARG 13 -5.493 -7.905 1.049
88 HA ARG 13 HA ARG 13 -3.964 -10.305 1.140
89 HB2 ARG 13 HB2 ARG 13 -5.625 -9.071 3.353
90 HB3 ARG 13 HB1 ARG 13 -4.349 -10.258 3.558
91 HG2 ARG 13 HG2 ARG 13 -2.718 -8.608 2.734
92 HG3 ARG 13 HG1 ARG 13 -4.017 -7.423 2.595
93 HD2 ARG 13 HD2 ARG 13 -2.866 -7.037 4.668
94 HD3 ARG 13 HD1 ARG 13 -4.452 -7.713 5.037
95 HE ARG 13 HE ARG 13 -2.591 -9.797 4.830
96 HH11 ARG 13 HH11 ARG 13 -3.503 -7.229 7.115
97 HH12 ARG 13 HH12 ARG 13 -2.737 -7.970 8.437
98 HH21 ARG 13 HH21 ARG 13 -1.559 -10.754 6.600
99 HH22 ARG 13 HH22 ARG 13 -1.568 -10.040 8.141
100 H LEU 14 H LEU 14 -7.365 -9.570 1.693
101 HA LEU 14 HA LEU 14 -8.318 -11.995 2.596
102 HB2 LEU 14 HB2 LEU 14 -9.614 -9.910 2.536
103 HB3 LEU 14 HB1 LEU 14 -9.693 -10.014 0.793
104 HG LEU 14 HG LEU 14 -10.991 -12.125 1.025
105 HD11 LEU 14 HD11 LEU 14 -10.999 -11.397 3.945
106 HD12 LEU 14 HD12 LEU 14 -10.275 -12.833 3.215
107 HD13 LEU 14 HD13 LEU 14 -12.024 -12.616 3.193
108 HD21 LEU 14 HD21 LEU 14 -12.113 -10.008 0.622
109 HD22 LEU 14 HD22 LEU 14 -12.148 -9.677 2.352
110 HD23 LEU 14 HD23 LEU 14 -13.081 -11.021 1.694
111 H ARG 15 H ARG 15 -8.220 -10.824 -0.751
112 HA ARG 15 HA ARG 15 -9.381 -13.100 -1.879
113 HB2 ARG 15 HB2 ARG 15 -7.533 -11.096 -3.163
114 HB3 ARG 15 HB1 ARG 15 -8.423 -12.333 -4.038
115 HG2 ARG 15 HG2 ARG 15 -9.604 -10.072 -2.438
116 HG3 ARG 15 HG1 ARG 15 -9.568 -10.219 -4.196
117 HD2 ARG 15 HD2 ARG 15 -10.945 -12.269 -4.021
118 HD3 ARG 15 HD1 ARG 15 -11.017 -12.043 -2.275
119 HE ARG 15 HE ARG 15 -11.933 -9.856 -3.916
120 HH11 ARG 15 HH11 ARG 15 -12.805 -12.639 -1.913
121 HH12 ARG 15 HH12 ARG 15 -14.449 -12.239 -1.793
122 HH21 ARG 15 HH21 ARG 15 -14.219 -9.297 -3.752
123 HH22 ARG 15 HH22 ARG 15 -15.269 -10.288 -2.851
124 H CYS 16 H CYS 16 -5.926 -12.333 -1.633
125 HA CYS 16 HA CYS 16 -5.260 -14.831 -2.758
126 HB2 CYS 16 HB2 CYS 16 -3.733 -12.617 -1.621
127 HB3 CYS 16 HB1 CYS 16 -2.938 -14.179 -1.534
128 H GLN 17 H GLN 17 -5.804 -13.884 0.572
129 HA GLN 17 HA GLN 17 -4.675 -16.246 1.656
130 HB2 GLN 17 HB2 GLN 17 -6.710 -14.321 2.757
131 HB3 GLN 17 HB1 GLN 17 -6.193 -15.743 3.644
132 HG2 GLN 17 HG2 GLN 17 -3.880 -14.906 3.602
133 HG3 GLN 17 HG1 GLN 17 -4.436 -13.467 2.746
134 HE21 GLN 17 1HE2 GLN 17 -3.695 -12.121 4.487
135 HE22 GLN 17 2HE2 GLN 17 -4.563 -12.076 5.963
136 H VAL 18 H VAL 18 -7.794 -15.502 0.328
137 HA VAL 18 HA VAL 18 -8.852 -18.058 1.162
138 HB VAL 18 HB VAL 18 -10.087 -15.934 -0.623
139 HG11 VAL 18 HG11 VAL 18 -11.039 -18.130 -1.105
140 HG12 VAL 18 HG12 VAL 18 -12.210 -17.122 -0.252
141 HG13 VAL 18 3HG1 VAL 18 -11.342 -18.390 0.613
142 HG21 VAL 18 HG21 VAL 18 -9.757 -15.173 1.665
143 HG22 VAL 18 HG22 VAL 18 -10.575 -16.610 2.277
144 HG23 VAL 18 HG23 VAL 18 -11.471 -15.419 1.335
145 H ALA 19 H ALA 19 -7.727 -16.565 -1.841
146 HA ALA 19 HA ALA 19 -8.445 -18.740 -3.506
147 HB1 ALA 19 HB1 ALA 19 -7.104 -17.673 -5.220
148 HB2 ALA 19 HB2 ALA 19 -6.351 -16.633 -4.012
149 HB3 ALA 19 HB3 ALA 19 -8.069 -16.467 -4.368
150 H GLU 20 H GLU 20 -5.419 -17.899 -1.870
151 HA GLU 20 HA GLU 20 -4.294 -20.485 -2.708
152 HB2 GLU 20 HB2 GLU 20 -2.912 -17.971 -1.738
153 HB3 GLU 20 HB1 GLU 20 -2.107 -19.465 -2.181
154 HG2 GLU 20 HG2 GLU 20 -3.700 -17.720 -4.048
155 HG3 GLU 20 HG1 GLU 20 -1.942 -17.754 -3.920
156 H ARG 21 H ARG 21 -3.775 -21.921 -1.063
157 HA ARG 21 HA ARG 21 -4.258 -20.924 1.654
158 HB2 ARG 21 HB2 ARG 21 -4.777 -23.213 2.326
159 HB3 ARG 21 HB1 ARG 21 -5.805 -22.729 0.995
160 HG2 ARG 21 HG2 ARG 21 -4.363 -24.001 -0.546
161 HG3 ARG 21 HG1 ARG 21 -3.387 -24.520 0.831
162 HD2 ARG 21 HD2 ARG 21 -6.312 -25.102 0.357
163 HD3 ARG 21 HD1 ARG 21 -4.979 -26.250 0.237
164 HE ARG 21 HE ARG 21 -5.043 -25.076 2.804
165 HH11 ARG 21 HH11 ARG 21 -6.687 -27.535 0.872
166 HH12 ARG 21 HH12 ARG 21 -7.331 -28.354 2.216
167 HH21 ARG 21 HH21 ARG 21 -5.875 -26.194 4.611
168 HH22 ARG 21 HH22 ARG 21 -6.844 -27.588 4.412
169 H GLY 22 H GLY 22 -1.813 -21.226 -0.211
170 HA2 GLY 22 HA2 GLY 22 -0.067 -22.696 1.617
171 HA3 GLY 22 HA1 GLY 22 0.375 -22.124 0.008
172 H VAL 23 H VAL 23 1.468 -21.757 2.812
173 HA VAL 23 HA VAL 23 1.066 -19.159 3.725
174 HB VAL 23 HB VAL 23 3.533 -20.887 4.084
175 HG11 VAL 23 HG11 VAL 23 3.999 -18.553 4.643
176 HG12 VAL 23 HG12 VAL 23 3.964 -19.555 6.094
177 HG13 VAL 23 3HG1 VAL 23 2.592 -18.519 5.704
178 HG21 VAL 23 HG21 VAL 23 2.510 -21.531 6.213
179 HG22 VAL 23 HG22 VAL 23 1.479 -21.977 4.852
180 HG23 VAL 23 HG23 VAL 23 1.092 -20.561 5.827
181 H GLU 24 H GLU 24 3.667 -20.340 1.588
182 HA GLU 24 HA GLU 24 5.026 -17.858 1.493
183 HB2 GLU 24 HB2 GLU 24 5.159 -20.255 -0.323
184 HB3 GLU 24 HB1 GLU 24 6.206 -18.854 -0.477
185 HG2 GLU 24 HG2 GLU 24 6.007 -20.562 1.986
186 HG3 GLU 24 HG1 GLU 24 7.231 -20.746 0.730
187 H GLN 25 H GLN 25 2.572 -19.295 -0.510
188 HA GLN 25 HA GLN 25 2.772 -17.345 -2.570
189 HB2 GLN 25 HB2 GLN 25 0.500 -19.213 -1.904
190 HB3 GLN 25 HB1 GLN 25 0.602 -18.236 -3.364
191 HG2 GLN 25 HG2 GLN 25 2.616 -20.320 -2.561
192 HG3 GLN 25 HG1 GLN 25 1.284 -20.593 -3.677
193 HE21 GLN 25 1HE2 GLN 25 2.694 -21.134 -5.310
194 HE22 GLN 25 2HE2 GLN 25 3.639 -19.979 -6.157
195 H GLN 26 H GLN 26 0.743 -17.646 0.295
196 HA GLN 26 HA GLN 26 -0.805 -15.326 -0.234
197 HB2 GLN 26 HB2 GLN 26 -0.101 -16.559 2.435
198 HB3 GLN 26 HB1 GLN 26 -1.349 -15.355 2.169
199 HG2 GLN 26 HG2 GLN 26 -2.588 -16.946 0.788
200 HG3 GLN 26 HG1 GLN 26 -1.325 -18.149 1.049
201 HE21 GLN 26 1HE2 GLN 26 -4.100 -18.357 1.753
202 HE22 GLN 26 2HE2 GLN 26 -4.172 -18.550 3.460
203 H ARG 27 H ARG 27 2.200 -15.891 1.538
204 HA ARG 27 HA ARG 27 2.644 -13.312 2.459
205 HB2 ARG 27 HB2 ARG 27 4.614 -15.431 1.611
206 HB3 ARG 27 HB1 ARG 27 5.123 -13.892 2.284
207 HG2 ARG 27 HG2 ARG 27 3.910 -14.387 4.345
208 HG3 ARG 27 HG1 ARG 27 3.378 -15.925 3.663
209 HD2 ARG 27 HD2 ARG 27 5.640 -16.711 3.556
210 HD3 ARG 27 HD1 ARG 27 6.252 -15.129 4.034
211 HE ARG 27 HE ARG 27 4.631 -15.833 6.075
212 HH11 ARG 27 HH11 ARG 27 7.191 -17.651 4.478
213 HH12 ARG 27 HH12 ARG 27 7.868 -18.234 5.928
214 HH21 ARG 27 HH21 ARG 27 5.479 -16.730 8.033
215 HH22 ARG 27 HH22 ARG 27 6.853 -17.732 8.003
216 H LYS 28 H LYS 28 3.705 -14.717 -0.630
217 HA LYS 28 HA LYS 28 4.917 -12.430 -1.695
218 HB2 LYS 28 HB2 LYS 28 3.452 -14.650 -3.112
219 HB3 LYS 28 HB1 LYS 28 4.453 -13.450 -3.919
220 HG2 LYS 28 HG2 LYS 28 6.400 -14.238 -2.728
221 HG3 LYS 28 HG1 LYS 28 5.405 -15.388 -1.832
222 HD2 LYS 28 HD2 LYS 28 4.835 -16.530 -3.895
223 HD3 LYS 28 HD1 LYS 28 5.771 -15.362 -4.825
224 HE2 LYS 28 HE2 LYS 28 6.857 -17.245 -2.735
225 HE3 LYS 28 HE1 LYS 28 6.998 -17.433 -4.482
226 HZ1 LYS 28 HZ1 LYS 28 9.012 -16.514 -3.588
227 HZ2 LYS 28 HZ2 LYS 28 8.195 -15.250 -2.856
228 HZ3 LYS 28 HZ3 LYS 28 8.263 -15.351 -4.542
229 H CYS 29 H CYS 29 1.570 -13.508 -1.899
230 HA CYS 29 HA CYS 29 0.558 -11.442 -3.478
231 HB2 CYS 29 HB2 CYS 29 -0.620 -13.263 -1.447
232 HB3 CYS 29 HB1 CYS 29 -1.600 -11.978 -2.114
233 H GLU 30 H GLU 30 0.767 -11.719 0.060
234 HA GLU 30 HA GLU 30 -0.507 -9.239 0.459
235 HB2 GLU 30 HB2 GLU 30 1.037 -10.952 2.407
236 HB3 GLU 30 HB1 GLU 30 0.026 -9.575 2.844
237 HG2 GLU 30 HG2 GLU 30 -1.916 -10.711 1.827
238 HG3 GLU 30 HG1 GLU 30 -0.897 -12.104 1.493
239 H GLN 31 H GLN 31 2.772 -10.100 -0.113
240 HA GLN 31 HA GLN 31 3.975 -7.752 0.852
241 HB2 GLN 31 HB2 GLN 31 4.784 -9.450 -1.522
242 HB3 GLN 31 HB1 GLN 31 5.762 -8.145 -0.870
243 HG2 GLN 31 HG2 GLN 31 4.962 -10.672 0.556
244 HG3 GLN 31 HG1 GLN 31 6.554 -10.294 -0.094
245 HE21 GLN 31 1HE2 GLN 31 6.517 -7.517 0.805
246 HE22 GLN 31 2HE2 GLN 31 6.703 -7.566 2.517
247 H VAL 32 H VAL 32 2.273 -8.456 -2.138
248 HA VAL 32 HA VAL 32 2.811 -6.016 -3.477
249 HB VAL 32 HB VAL 32 0.312 -7.735 -3.684
250 HG11 VAL 32 HG11 VAL 32 1.465 -5.754 -5.642
251 HG12 VAL 32 HG12 VAL 32 0.000 -5.542 -4.683
252 HG13 VAL 32 3HG1 VAL 32 0.065 -6.786 -5.932
253 HG21 VAL 32 HG21 VAL 32 2.859 -7.886 -5.289
254 HG22 VAL 32 HG22 VAL 32 1.389 -8.795 -5.617
255 HG23 VAL 32 HG23 VAL 32 2.285 -9.080 -4.123
256 H CYS 33 H CYS 33 0.267 -7.072 -1.302
257 HA CYS 33 HA CYS 33 -1.349 -4.798 -1.293
258 HB2 CYS 33 HB2 CYS 33 -0.802 -6.521 1.117
259 HB3 CYS 33 HB1 CYS 33 -2.289 -5.678 0.722
260 H GLU 34 H GLU 34 1.377 -5.722 0.803
261 HA GLU 34 HA GLU 34 1.278 -3.373 2.365
262 HB2 GLU 34 HB2 GLU 34 2.237 -5.502 3.182
263 HB3 GLU 34 HB1 GLU 34 3.563 -5.319 2.044
264 HG2 GLU 34 HG2 GLU 34 4.278 -3.287 3.166
265 HG3 GLU 34 HG1 GLU 34 2.918 -3.408 4.278
266 H GLU 35 H GLU 35 3.305 -4.316 -0.412
267 HA GLU 35 HA GLU 35 4.862 -1.989 -0.327
268 HB2 GLU 35 HB2 GLU 35 4.330 -3.934 -2.563
269 HB3 GLU 35 HB1 GLU 35 5.397 -2.548 -2.755
270 HG2 GLU 35 HG2 GLU 35 6.807 -3.368 -0.936
271 HG3 GLU 35 HG1 GLU 35 5.726 -4.740 -0.715
272 H ARG 36 H ARG 36 1.794 -2.630 -1.912
273 HA ARG 36 HA ARG 36 1.682 -0.194 -3.295
274 HB2 ARG 36 HB2 ARG 36 0.096 -1.983 -3.782
275 HB3 ARG 36 HB1 ARG 36 -0.589 -1.849 -2.170
276 HG2 ARG 36 HG2 ARG 36 -1.545 0.260 -2.641
277 HG3 ARG 36 HG1 ARG 36 -0.615 0.426 -4.128
278 HD2 ARG 36 HD2 ARG 36 -2.920 -0.133 -4.608
279 HD3 ARG 36 HD1 ARG 36 -1.833 -1.426 -5.104
280 HE ARG 36 HE ARG 36 -3.015 -1.742 -2.497
281 HH11 ARG 36 HH11 ARG 36 -3.258 -2.416 -5.970
282 HH12 ARG 36 HH12 ARG 36 -4.344 -3.708 -5.802
283 HH21 ARG 36 HH21 ARG 36 -4.652 -3.590 -2.292
284 HH22 ARG 36 HH22 ARG 36 -5.105 -4.343 -3.746
285 H LEU 37 H LEU 37 0.914 -0.998 0.037
286 HA LEU 37 HA LEU 37 0.085 1.678 0.541
287 HB2 LEU 37 HB2 LEU 37 0.415 -0.703 2.254
288 HB3 LEU 37 HB1 LEU 37 0.437 0.876 3.020
289 HG LEU 37 HG LEU 37 -1.680 1.356 1.866
290 HD11 LEU 37 HD11 LEU 37 -3.111 -0.606 1.238
291 HD12 LEU 37 HD12 LEU 37 -1.570 -1.485 1.023
292 HD13 LEU 37 HD13 LEU 37 -1.895 -0.028 0.122
293 HD21 LEU 37 HD21 LEU 37 -3.058 0.149 3.490
294 HD22 LEU 37 HD22 LEU 37 -1.614 0.914 4.165
295 HD23 LEU 37 HD23 LEU 37 -1.639 -0.831 3.900
296 H ARG 38 H ARG 38 3.100 0.055 0.610
297 HA ARG 38 HA ARG 38 4.481 2.017 2.114
298 HB2 ARG 38 HB2 ARG 38 5.527 0.296 -0.148
299 HB3 ARG 38 HB1 ARG 38 6.531 1.233 0.945
300 HG2 ARG 38 HG2 ARG 38 5.742 -0.152 2.820
301 HG3 ARG 38 HG1 ARG 38 4.785 -1.107 1.686
302 HD2 ARG 38 HD2 ARG 38 6.878 -1.612 0.445
303 HD3 ARG 38 HD1 ARG 38 7.772 -0.778 1.711
304 HE ARG 38 HE ARG 38 6.139 -2.794 2.820
305 HH11 ARG 38 HH11 ARG 38 9.135 -2.337 1.012
306 HH12 ARG 38 HH12 ARG 38 9.865 -3.769 1.558
307 HH21 ARG 38 HH21 ARG 38 7.072 -4.803 3.526
308 HH22 ARG 38 HH22 ARG 38 8.647 -5.241 2.995
309 H GLU 39 H GLU 39 3.514 1.730 -1.210
310 HA GLU 39 HA GLU 39 4.697 4.061 -2.222
311 HB2 GLU 39 HB2 GLU 39 2.194 2.594 -3.037
312 HB3 GLU 39 HB1 GLU 39 2.862 3.942 -3.948
313 HG2 GLU 39 HG2 GLU 39 4.361 1.409 -3.338
314 HG3 GLU 39 HG1 GLU 39 3.464 1.694 -4.829
315 H ARG 40 H ARG 40 2.036 3.671 -0.056
316 HA ARG 40 HA ARG 40 1.061 6.365 -0.495
317 HB2 ARG 40 HB2 ARG 40 0.357 4.214 1.507
318 HB3 ARG 40 HB1 ARG 40 -0.343 5.819 1.561
319 HG2 ARG 40 HG2 ARG 40 -0.574 3.959 -0.793
320 HG3 ARG 40 HG1 ARG 40 -1.772 4.082 0.495
321 HD2 ARG 40 HD2 ARG 40 -0.902 6.320 -1.346
322 HD3 ARG 40 HD1 ARG 40 -2.415 5.428 -1.445
323 HE ARG 40 HE ARG 40 -1.645 7.201 0.774
324 HH11 ARG 40 HH11 ARG 40 -4.193 5.738 -1.239
325 HH12 ARG 40 HH12 ARG 40 -5.455 6.603 -0.514
326 HH21 ARG 40 HH21 ARG 40 -3.404 8.418 1.769
327 HH22 ARG 40 HH22 ARG 40 -4.998 8.161 1.247
328 H GLU 41 H GLU 41 2.840 4.508 1.911
329 HA GLU 41 HA GLU 41 3.143 6.592 3.808
330 HB2 GLU 41 HB2 GLU 41 4.890 4.176 3.427
331 HB3 GLU 41 HB1 GLU 41 4.709 5.129 4.892
332 HG2 GLU 41 HG2 GLU 41 2.366 4.431 5.034
333 HG3 GLU 41 HG1 GLU 41 2.587 3.460 3.586
334 H GLN 42 H GLN 42 5.269 5.315 1.289
335 HA GLN 42 HA GLN 42 7.285 7.311 1.884
336 HB2 GLN 42 HB2 GLN 42 7.180 5.092 -0.148
337 HB3 GLN 42 HB1 GLN 42 8.571 6.124 0.119
338 HG2 GLN 42 HG2 GLN 42 8.688 5.277 2.445
339 HG3 GLN 42 HG1 GLN 42 7.348 4.193 2.075
340 HE21 GLN 42 1HE2 GLN 42 8.547 2.375 2.443
341 HE22 GLN 42 2HE2 GLN 42 9.820 1.840 1.396
342 H GLY 43 H GLY 43 4.603 6.904 -0.096
343 HA2 GLY 43 HA2 GLY 43 3.649 8.214 -1.712
344 HA3 GLY 43 HA1 GLY 43 4.813 9.461 -1.270
345 H ARG 44 H ARG 44 6.112 10.043 -2.816
346 HA ARG 44 HA ARG 44 6.878 8.038 -4.812
347 HB2 ARG 44 HB2 ARG 44 6.990 9.867 -6.478
348 HB3 ARG 44 HB1 ARG 44 5.368 9.630 -5.848
349 HG2 ARG 44 HG2 ARG 44 5.648 11.559 -4.382
350 HG3 ARG 44 HG1 ARG 44 7.287 11.787 -4.993
351 HD2 ARG 44 HD2 ARG 44 4.766 11.903 -6.639
352 HD3 ARG 44 HD1 ARG 44 5.676 13.293 -6.057
353 HE ARG 44 HE ARG 44 7.387 11.620 -7.499
354 HH11 ARG 44 HH11 ARG 44 4.683 13.849 -8.070
355 HH12 ARG 44 HH12 ARG 44 5.147 14.243 -9.651
356 HH21 ARG 44 HH21 ARG 44 8.015 12.153 -9.702
357 HH22 ARG 44 HH22 ARG 44 7.085 13.286 -10.592
358 H GLY 45 H GLY 45 7.987 9.414 -2.233
359 HA2 GLY 45 HA2 GLY 45 10.579 9.043 -2.390
360 HA3 GLY 45 HA1 GLY 45 10.443 10.535 -3.317
361 H GLU 46 H GLU 46 9.217 9.182 -0.278
362 HA GLU 46 HA GLU 46 9.276 11.703 1.071
363 HB2 GLU 46 HB2 GLU 46 7.861 9.717 1.769
364 HB3 GLU 46 HB1 GLU 46 9.341 8.920 2.280
365 HG2 GLU 46 HG2 GLU 46 8.266 9.843 4.206
366 HG3 GLU 46 HG1 GLU 46 9.725 10.778 3.882
367 H ASP 47 H ASP 47 11.228 8.971 0.720
368 HA ASP 47 HA ASP 47 13.510 10.069 2.175
369 HB2 ASP 47 HB2 ASP 47 13.269 7.420 0.695
370 HB3 ASP 47 HB1 ASP 47 14.523 7.882 1.827
371 H VAL 48 H VAL 48 14.411 11.530 0.889
372 HA VAL 48 HA VAL 48 14.159 11.515 -1.945
373 HB VAL 48 HB VAL 48 16.096 13.184 -0.316
374 HG11 VAL 48 HG11 VAL 48 16.000 14.739 -2.216
375 HG12 VAL 48 HG12 VAL 48 14.974 13.596 -3.084
376 HG13 VAL 48 3HG1 VAL 48 16.633 13.159 -2.680
377 HG21 VAL 48 HG21 VAL 48 13.274 13.822 -1.173
378 HG22 VAL 48 HG22 VAL 48 14.384 14.942 -0.384
379 HG23 VAL 48 HG23 VAL 48 13.813 13.512 0.477
380 H ASP 49 H ASP 49 14.990 9.736 -2.822
381 HA ASP 49 HA ASP 49 17.772 9.613 -3.341
382 HB2 ASP 49 HB2 ASP 49 17.743 8.449 -1.133
383 HB3 ASP 49 HB1 ASP 49 16.546 7.323 -1.763
Start of MODEL 17
1 H PCA 1 H PGL 1 -15.690 6.731 2.337
2 HA PCA 1 HA PGL 1 -14.048 7.239 0.451
3 HB2 PCA 1 HB1 PGL 1 -11.887 7.419 1.161
4 HB3 PCA 1 HB2 PGL 1 -11.902 5.694 1.617
5 HG2 PCA 1 HG1 PGL 1 -12.090 8.023 3.362
6 HG3 PCA 1 HG2 PGL 1 -12.008 6.283 3.806
7 H ARG 2 H ARG 2 -14.829 5.870 -0.986
8 HA ARG 2 HA ARG 2 -15.202 3.127 -0.246
9 HB2 ARG 2 HB2 ARG 2 -16.204 2.829 -2.534
10 HB3 ARG 2 HB1 ARG 2 -17.012 4.006 -1.521
11 HG2 ARG 2 HG2 ARG 2 -15.914 5.815 -2.766
12 HG3 ARG 2 HG1 ARG 2 -15.115 4.616 -3.787
13 HD2 ARG 2 HD2 ARG 2 -17.131 5.545 -4.854
14 HD3 ARG 2 HD1 ARG 2 -17.275 3.811 -4.568
15 HE ARG 2 HE ARG 2 -18.333 5.265 -2.387
16 HH11 ARG 2 HH11 ARG 2 -19.203 4.408 -5.725
17 HH12 ARG 2 HH12 ARG 2 -20.885 4.486 -5.402
18 HH21 ARG 2 HH21 ARG 2 -20.556 5.304 -1.998
19 HH22 ARG 2 HH22 ARG 2 -21.674 4.967 -3.243
20 H GLY 3 H GLY 3 -13.599 1.868 -0.189
21 HA2 GLY 3 HA2 GLY 3 -11.894 0.565 -1.204
22 HA3 GLY 3 HA1 GLY 3 -11.685 1.839 -2.406
23 H SER 4 H SER 4 -11.759 1.819 1.135
24 HA SER 4 HA SER 4 -9.806 3.831 1.361
25 HB2 SER 4 HB2 SER 4 -10.753 1.823 3.419
26 HB3 SER 4 HB1 SER 4 -9.866 3.312 3.754
27 HG SER 4 HG SER 4 -12.095 3.733 2.230
28 HA PRO 5 HA PRO 5 -5.903 1.938 0.665
29 HB2 PRO 5 HB2 PRO 5 -5.119 2.954 3.355
30 HB3 PRO 5 HB1 PRO 5 -4.286 3.116 1.805
31 HG2 PRO 5 HG2 PRO 5 -5.658 5.142 2.817
32 HG3 PRO 5 HG1 PRO 5 -5.698 4.806 1.074
33 HD2 PRO 5 HD2 PRO 5 -7.769 4.328 3.156
34 HD3 PRO 5 HD1 PRO 5 -7.957 4.738 1.438
35 H ARG 6 H ARG 6 -6.773 1.522 4.124
36 HA ARG 6 HA ARG 6 -5.147 -0.866 4.239
37 HB2 ARG 6 HB2 ARG 6 -7.117 0.019 6.351
38 HB3 ARG 6 HB1 ARG 6 -5.760 -1.068 6.540
39 HG2 ARG 6 HG2 ARG 6 -5.604 1.877 5.977
40 HG3 ARG 6 HG1 ARG 6 -5.282 1.087 7.515
41 HD2 ARG 6 HD2 ARG 6 -3.363 -0.081 6.475
42 HD3 ARG 6 HD1 ARG 6 -3.706 0.755 4.957
43 HE ARG 6 HE ARG 6 -3.475 2.525 7.154
44 HH11 ARG 6 HH11 ARG 6 -1.390 0.726 4.857
45 HH12 ARG 6 HH12 ARG 6 -0.181 1.926 4.879
46 HH21 ARG 6 HH21 ARG 6 -1.807 4.072 7.172
47 HH22 ARG 6 HH22 ARG 6 -0.420 3.877 6.206
48 H ALA 7 H ALA 7 -8.448 -0.106 3.697
49 HA ALA 7 HA ALA 7 -9.531 -2.685 4.108
50 HB1 ALA 7 HB1 ALA 7 -10.443 -0.524 2.210
51 HB2 ALA 7 HB2 ALA 7 -10.941 -0.704 3.891
52 HB3 ALA 7 HB3 ALA 7 -11.391 -1.929 2.703
53 H GLU 8 H GLU 8 -8.388 -1.011 1.208
54 HA GLU 8 HA GLU 8 -8.636 -3.111 -0.622
55 HB2 GLU 8 HB2 GLU 8 -6.662 -0.830 -0.551
56 HB3 GLU 8 HB1 GLU 8 -6.866 -1.904 -1.927
57 HG2 GLU 8 HG2 GLU 8 -9.005 -0.134 -0.765
58 HG3 GLU 8 HG1 GLU 8 -8.059 0.211 -2.212
59 H TYR 9 H TYR 9 -6.092 -2.313 1.597
60 HA TYR 9 HA TYR 9 -4.132 -4.155 0.864
61 HB2 TYR 9 HB2 TYR 9 -3.707 -2.385 2.475
62 HB3 TYR 9 HB1 TYR 9 -4.903 -3.051 3.571
63 HD1 TYR 9 HD1 TYR 9 -4.270 -4.560 5.216
64 HD2 TYR 9 HD2 TYR 9 -1.652 -3.803 1.978
65 HE1 TYR 9 HE1 TYR 9 -2.554 -5.861 6.346
66 HE2 TYR 9 HE2 TYR 9 0.097 -5.091 3.059
67 HH TYR 9 HH TYR 9 0.754 -5.842 5.388
68 H GLU 10 H GLU 10 -6.731 -4.471 3.274
69 HA GLU 10 HA GLU 10 -6.246 -7.191 3.811
70 HB2 GLU 10 HB2 GLU 10 -8.648 -5.455 4.319
71 HB3 GLU 10 HB1 GLU 10 -8.527 -7.129 4.857
72 HG2 GLU 10 HG2 GLU 10 -6.630 -4.932 5.637
73 HG3 GLU 10 HG1 GLU 10 -8.000 -5.471 6.606
74 H VAL 11 H VAL 11 -8.420 -5.574 1.545
75 HA VAL 11 HA VAL 11 -9.874 -7.793 0.670
76 HB VAL 11 HB VAL 11 -8.975 -5.418 -1.009
77 HG11 VAL 11 HG11 VAL 11 -10.849 -5.979 -2.497
78 HG12 VAL 11 HG12 VAL 11 -11.177 -7.420 -1.536
79 HG13 VAL 11 3HG1 VAL 11 -9.664 -7.284 -2.433
80 HG21 VAL 11 HG21 VAL 11 -11.537 -5.933 0.484
81 HG22 VAL 11 HG22 VAL 11 -11.233 -4.557 -0.580
82 HG23 VAL 11 HG23 VAL 11 -10.300 -4.749 0.905
83 H CYS 12 H CYS 12 -6.794 -6.542 -0.519
84 HA CYS 12 HA CYS 12 -6.219 -8.360 -2.529
85 HB2 CYS 12 HB2 CYS 12 -4.789 -6.456 -2.164
86 HB3 CYS 12 HB1 CYS 12 -4.401 -6.994 -0.537
87 H ARG 13 H ARG 13 -5.666 -8.618 0.925
88 HA ARG 13 HA ARG 13 -4.319 -11.114 0.834
89 HB2 ARG 13 HB2 ARG 13 -5.735 -9.811 3.162
90 HB3 ARG 13 HB1 ARG 13 -4.484 -11.047 3.246
91 HG2 ARG 13 HG2 ARG 13 -2.866 -9.498 2.289
92 HG3 ARG 13 HG1 ARG 13 -4.115 -8.266 2.163
93 HD2 ARG 13 HD2 ARG 13 -2.810 -7.818 4.116
94 HD3 ARG 13 HD1 ARG 13 -4.402 -8.376 4.622
95 HE ARG 13 HE ARG 13 -2.389 -10.423 4.431
96 HH11 ARG 13 HH11 ARG 13 -4.048 -8.107 6.599
97 HH12 ARG 13 HH12 ARG 13 -3.478 -8.882 8.003
98 HH21 ARG 13 HH21 ARG 13 -1.615 -11.388 6.353
99 HH22 ARG 13 HH22 ARG 13 -2.089 -10.785 7.885
100 H LEU 14 H LEU 14 -7.613 -10.076 1.458
101 HA LEU 14 HA LEU 14 -8.731 -12.512 2.220
102 HB2 LEU 14 HB2 LEU 14 -9.789 -10.301 2.511
103 HB3 LEU 14 HB1 LEU 14 -10.043 -10.210 0.783
104 HG LEU 14 HG LEU 14 -11.543 -12.178 0.931
105 HD11 LEU 14 HD11 LEU 14 -10.635 -13.224 2.925
106 HD12 LEU 14 HD12 LEU 14 -12.353 -12.892 3.134
107 HD13 LEU 14 HD13 LEU 14 -11.156 -11.852 3.903
108 HD21 LEU 14 HD21 LEU 14 -12.271 -9.850 2.710
109 HD22 LEU 14 HD22 LEU 14 -13.409 -10.987 1.985
110 HD23 LEU 14 HD23 LEU 14 -12.456 -9.917 0.957
111 H ARG 15 H ARG 15 -8.349 -11.029 -0.964
112 HA ARG 15 HA ARG 15 -9.778 -13.037 -2.383
113 HB2 ARG 15 HB2 ARG 15 -7.597 -11.245 -3.463
114 HB3 ARG 15 HB1 ARG 15 -8.777 -12.132 -4.411
115 HG2 ARG 15 HG2 ARG 15 -9.325 -9.845 -2.539
116 HG3 ARG 15 HG1 ARG 15 -9.372 -9.795 -4.295
117 HD2 ARG 15 HD2 ARG 15 -11.242 -11.401 -4.262
118 HD3 ARG 15 HD1 ARG 15 -11.201 -11.392 -2.494
119 HE ARG 15 HE ARG 15 -11.535 -8.876 -3.913
120 HH11 ARG 15 HH11 ARG 15 -13.044 -11.382 -1.866
121 HH12 ARG 15 HH12 ARG 15 -14.377 -10.417 -1.455
122 HH21 ARG 15 HH21 ARG 15 -13.389 -7.572 -3.325
123 HH22 ARG 15 HH22 ARG 15 -14.590 -8.216 -2.323
124 H CYS 16 H CYS 16 -6.377 -12.636 -1.560
125 HA CYS 16 HA CYS 16 -5.557 -14.894 -3.014
126 HB2 CYS 16 HB2 CYS 16 -4.238 -13.354 -0.804
127 HB3 CYS 16 HB1 CYS 16 -3.486 -14.745 -1.578
128 H GLN 17 H GLN 17 -6.484 -14.512 0.414
129 HA GLN 17 HA GLN 17 -5.734 -17.150 1.024
130 HB2 GLN 17 HB2 GLN 17 -7.074 -16.941 3.097
131 HB3 GLN 17 HB1 GLN 17 -5.916 -15.644 2.861
132 HG2 GLN 17 HG2 GLN 17 -7.668 -14.177 2.159
133 HG3 GLN 17 HG1 GLN 17 -8.855 -15.477 2.274
134 HE21 GLN 17 1HE2 GLN 17 -9.479 -16.199 4.277
135 HE22 GLN 17 2HE2 GLN 17 -9.252 -15.281 5.713
136 H VAL 18 H VAL 18 -8.654 -15.938 -0.373
137 HA VAL 18 HA VAL 18 -9.933 -18.466 0.051
138 HB VAL 18 HB VAL 18 -11.357 -16.474 -0.005
139 HG11 VAL 18 HG11 VAL 18 -10.103 -15.154 -1.535
140 HG12 VAL 18 HG12 VAL 18 -11.783 -15.276 -2.082
141 HG13 VAL 18 3HG1 VAL 18 -10.511 -16.246 -2.853
142 HG21 VAL 18 HG21 VAL 18 -12.363 -18.604 -0.662
143 HG22 VAL 18 HG22 VAL 18 -11.931 -18.290 -2.342
144 HG23 VAL 18 HG23 VAL 18 -13.101 -17.254 -1.525
145 H ALA 19 H ALA 19 -8.158 -16.942 -2.546
146 HA ALA 19 HA ALA 19 -8.850 -18.986 -4.460
147 HB1 ALA 19 HB1 ALA 19 -8.459 -16.665 -5.160
148 HB2 ALA 19 HB2 ALA 19 -7.399 -17.803 -5.994
149 HB3 ALA 19 HB3 ALA 19 -6.771 -16.817 -4.673
150 H GLU 20 H GLU 20 -5.888 -18.084 -2.721
151 HA GLU 20 HA GLU 20 -4.545 -20.425 -3.789
152 HB2 GLU 20 HB2 GLU 20 -3.534 -18.139 -2.102
153 HB3 GLU 20 HB1 GLU 20 -2.538 -19.462 -2.679
154 HG2 GLU 20 HG2 GLU 20 -3.945 -17.385 -4.337
155 HG3 GLU 20 HG1 GLU 20 -2.208 -17.550 -4.085
156 H ARG 21 H ARG 21 -3.254 -21.732 -2.275
157 HA ARG 21 HA ARG 21 -4.515 -21.940 0.352
158 HB2 ARG 21 HB2 ARG 21 -4.625 -24.380 0.137
159 HB3 ARG 21 HB1 ARG 21 -5.579 -23.584 -1.104
160 HG2 ARG 21 HG2 ARG 21 -3.661 -23.927 -2.681
161 HG3 ARG 21 HG1 ARG 21 -2.897 -24.911 -1.431
162 HD2 ARG 21 HD2 ARG 21 -4.079 -26.342 -2.987
163 HD3 ARG 21 HD1 ARG 21 -4.888 -26.377 -1.420
164 HE ARG 21 HE ARG 21 -5.929 -24.401 -3.200
165 HH11 ARG 21 HH11 ARG 21 -6.155 -27.840 -2.384
166 HH12 ARG 21 HH12 ARG 21 -7.739 -28.012 -2.947
167 HH21 ARG 21 HH21 ARG 21 -8.101 -24.638 -3.950
168 HH22 ARG 21 HH22 ARG 21 -8.889 -26.143 -3.853
169 H GLY 22 H GLY 22 -1.839 -21.301 -1.125
170 HA2 GLY 22 HA2 GLY 22 -0.100 -22.874 0.660
171 HA3 GLY 22 HA1 GLY 22 0.430 -22.038 -0.802
172 H VAL 23 H VAL 23 1.156 -21.887 2.158
173 HA VAL 23 HA VAL 23 0.233 -19.391 3.115
174 HB VAL 23 HB VAL 23 2.691 -20.951 3.990
175 HG11 VAL 23 HG11 VAL 23 1.137 -18.819 5.450
176 HG12 VAL 23 HG12 VAL 23 2.756 -18.644 4.776
177 HG13 VAL 23 3HG1 VAL 23 2.474 -19.756 6.115
178 HG21 VAL 23 HG21 VAL 23 0.660 -22.298 4.157
179 HG22 VAL 23 HG22 VAL 23 -0.125 -21.014 5.075
180 HG23 VAL 23 HG23 VAL 23 1.260 -21.863 5.758
181 H GLU 24 H GLU 24 3.095 -20.355 1.313
182 HA GLU 24 HA GLU 24 4.303 -17.846 1.548
183 HB2 GLU 24 HB2 GLU 24 5.708 -18.626 -0.448
184 HB3 GLU 24 HB1 GLU 24 5.850 -19.507 1.068
185 HG2 GLU 24 HG2 GLU 24 5.877 -21.032 -0.787
186 HG3 GLU 24 HG1 GLU 24 4.370 -21.247 0.095
187 H GLN 25 H GLN 25 2.003 -19.029 -0.759
188 HA GLN 25 HA GLN 25 2.199 -16.854 -2.556
189 HB2 GLN 25 HB2 GLN 25 -0.169 -18.620 -1.923
190 HB3 GLN 25 HB1 GLN 25 -0.155 -17.429 -3.210
191 HG2 GLN 25 HG2 GLN 25 1.661 -19.820 -3.010
192 HG3 GLN 25 HG1 GLN 25 0.223 -19.702 -4.017
193 HE21 GLN 25 1HE2 GLN 25 0.822 -16.888 -4.787
194 HE22 GLN 25 2HE2 GLN 25 2.130 -17.007 -5.893
195 H GLN 26 H GLN 26 0.250 -17.395 0.320
196 HA GLN 26 HA GLN 26 -1.245 -14.976 0.152
197 HB2 GLN 26 HB2 GLN 26 -0.572 -16.329 2.761
198 HB3 GLN 26 HB1 GLN 26 -2.018 -15.438 2.315
199 HG2 GLN 26 HG2 GLN 26 -1.248 -18.184 1.371
200 HG3 GLN 26 HG1 GLN 26 -2.491 -17.781 2.541
201 HE21 GLN 26 1HE2 GLN 26 -4.064 -18.786 1.397
202 HE22 GLN 26 2HE2 GLN 26 -4.674 -18.161 -0.097
203 H ARG 27 H ARG 27 1.692 -15.891 1.855
204 HA ARG 27 HA ARG 27 2.143 -13.422 3.061
205 HB2 ARG 27 HB2 ARG 27 4.075 -15.606 2.291
206 HB3 ARG 27 HB1 ARG 27 4.588 -14.152 3.134
207 HG2 ARG 27 HG2 ARG 27 3.057 -14.681 4.976
208 HG3 ARG 27 HG1 ARG 27 2.564 -16.148 4.132
209 HD2 ARG 27 HD2 ARG 27 5.395 -15.545 4.969
210 HD3 ARG 27 HD1 ARG 27 4.270 -16.497 5.933
211 HE ARG 27 HE ARG 27 4.223 -17.779 3.598
212 HH11 ARG 27 HH11 ARG 27 6.972 -16.642 5.549
213 HH12 ARG 27 HH12 ARG 27 7.987 -17.943 5.135
214 HH21 ARG 27 HH21 ARG 27 5.697 -19.670 3.070
215 HH22 ARG 27 HH22 ARG 27 7.272 -19.618 3.707
216 H LYS 28 H LYS 28 3.101 -14.572 -0.143
217 HA LYS 28 HA LYS 28 4.477 -12.187 -0.778
218 HB2 LYS 28 HB2 LYS 28 3.410 -14.409 -2.483
219 HB3 LYS 28 HB1 LYS 28 4.020 -12.941 -3.233
220 HG2 LYS 28 HG2 LYS 28 6.180 -13.277 -2.107
221 HG3 LYS 28 HG1 LYS 28 5.556 -14.764 -1.396
222 HD2 LYS 28 HD2 LYS 28 5.638 -14.308 -4.368
223 HD3 LYS 28 HD1 LYS 28 7.004 -14.991 -3.492
224 HE2 LYS 28 HE2 LYS 28 4.208 -16.142 -3.525
225 HE3 LYS 28 HE1 LYS 28 5.544 -16.699 -4.530
226 HZ1 LYS 28 HZ1 LYS 28 6.765 -17.273 -2.546
227 HZ2 LYS 28 HZ2 LYS 28 5.293 -18.083 -2.564
228 HZ3 LYS 28 HZ3 LYS 28 5.516 -16.739 -1.554
229 H CYS 29 H CYS 29 1.127 -13.116 -1.096
230 HA CYS 29 HA CYS 29 0.249 -10.939 -2.606
231 HB2 CYS 29 HB2 CYS 29 -1.075 -12.704 -0.601
232 HB3 CYS 29 HB1 CYS 29 -1.979 -11.375 -1.292
233 H GLU 30 H GLU 30 0.340 -11.271 0.946
234 HA GLU 30 HA GLU 30 -0.441 -8.578 1.258
235 HB2 GLU 30 HB2 GLU 30 0.205 -8.901 3.681
236 HB3 GLU 30 HB1 GLU 30 -1.034 -9.970 3.062
237 HG2 GLU 30 HG2 GLU 30 0.671 -11.735 2.818
238 HG3 GLU 30 HG1 GLU 30 1.852 -10.648 3.552
239 H GLN 31 H GLN 31 2.605 -10.116 0.888
240 HA GLN 31 HA GLN 31 4.313 -8.066 1.730
241 HB2 GLN 31 HB2 GLN 31 5.080 -10.309 1.169
242 HB3 GLN 31 HB1 GLN 31 4.603 -10.067 -0.495
243 HG2 GLN 31 HG2 GLN 31 6.313 -8.360 -0.755
244 HG3 GLN 31 HG1 GLN 31 6.794 -8.579 0.930
245 HE21 GLN 31 1HE2 GLN 31 8.281 -9.004 -1.573
246 HE22 GLN 31 2HE2 GLN 31 8.824 -10.643 -1.482
247 H VAL 32 H VAL 32 3.210 -8.818 -1.580
248 HA VAL 32 HA VAL 32 4.293 -6.484 -2.718
249 HB VAL 32 HB VAL 32 2.078 -8.257 -3.807
250 HG11 VAL 32 HG11 VAL 32 3.877 -6.305 -5.247
251 HG12 VAL 32 HG12 VAL 32 2.160 -6.078 -4.931
252 HG13 VAL 32 3HG1 VAL 32 2.695 -7.373 -6.004
253 HG21 VAL 32 HG21 VAL 32 5.057 -8.321 -4.276
254 HG22 VAL 32 HG22 VAL 32 3.866 -9.325 -5.101
255 HG23 VAL 32 HG23 VAL 32 4.119 -9.506 -3.365
256 H CYS 33 H CYS 33 1.081 -7.232 -1.483
257 HA CYS 33 HA CYS 33 0.090 -4.739 -2.320
258 HB2 CYS 33 HB2 CYS 33 -1.042 -6.830 -0.505
259 HB3 CYS 33 HB1 CYS 33 -1.868 -5.293 -0.752
260 H GLU 34 H GLU 34 1.727 -5.690 0.650
261 HA GLU 34 HA GLU 34 0.955 -3.319 2.030
262 HB2 GLU 34 HB2 GLU 34 1.973 -5.481 3.058
263 HB3 GLU 34 HB1 GLU 34 3.499 -4.830 2.508
264 HG2 GLU 34 HG2 GLU 34 3.248 -2.869 3.832
265 HG3 GLU 34 HG1 GLU 34 1.630 -3.367 4.323
266 H GLU 35 H GLU 35 3.734 -4.222 0.035
267 HA GLU 35 HA GLU 35 4.955 -1.700 0.385
268 HB2 GLU 35 HB2 GLU 35 6.355 -2.307 -1.625
269 HB3 GLU 35 HB1 GLU 35 6.407 -3.453 -0.296
270 HG2 GLU 35 HG2 GLU 35 4.883 -4.902 -1.462
271 HG3 GLU 35 HG1 GLU 35 4.763 -3.745 -2.785
272 H ARG 36 H ARG 36 2.589 -2.914 -1.878
273 HA ARG 36 HA ARG 36 2.442 -0.713 -3.622
274 HB2 ARG 36 HB2 ARG 36 1.138 -2.857 -3.873
275 HB3 ARG 36 HB1 ARG 36 0.099 -2.320 -2.561
276 HG2 ARG 36 HG2 ARG 36 -0.501 -0.330 -3.923
277 HG3 ARG 36 HG1 ARG 36 0.425 -1.014 -5.256
278 HD2 ARG 36 HD2 ARG 36 -1.800 -1.639 -5.680
279 HD3 ARG 36 HD1 ARG 36 -1.041 -3.073 -4.999
280 HE ARG 36 HE ARG 36 -2.395 -1.381 -3.091
281 HH11 ARG 36 HH11 ARG 36 -2.675 -4.216 -5.191
282 HH12 ARG 36 HH12 ARG 36 -4.128 -4.760 -4.488
283 HH21 ARG 36 HH21 ARG 36 -4.390 -2.113 -2.158
284 HH22 ARG 36 HH22 ARG 36 -5.124 -3.562 -2.729
285 H LEU 37 H LEU 37 0.830 -1.384 -0.549
286 HA LEU 37 HA LEU 37 -0.565 0.986 -0.204
287 HB2 LEU 37 HB2 LEU 37 0.382 -1.227 1.473
288 HB3 LEU 37 HB1 LEU 37 0.110 0.252 2.353
289 HG LEU 37 HG LEU 37 -1.802 -1.344 2.378
290 HD11 LEU 37 HD11 LEU 37 -2.090 0.988 2.818
291 HD12 LEU 37 HD12 LEU 37 -3.488 0.323 1.965
292 HD13 LEU 37 HD13 LEU 37 -2.307 1.319 1.094
293 HD21 LEU 37 HD21 LEU 37 -3.241 -1.507 0.400
294 HD22 LEU 37 HD22 LEU 37 -1.647 -2.191 0.082
295 HD23 LEU 37 HD23 LEU 37 -2.061 -0.595 -0.542
296 H ARG 38 H ARG 38 2.708 0.141 0.784
297 HA ARG 38 HA ARG 38 3.366 2.572 2.031
298 HB2 ARG 38 HB2 ARG 38 5.206 0.653 0.589
299 HB3 ARG 38 HB1 ARG 38 5.734 1.946 1.652
300 HG2 ARG 38 HG2 ARG 38 4.073 -0.440 2.454
301 HG3 ARG 38 HG1 ARG 38 5.787 -0.202 2.794
302 HD2 ARG 38 HD2 ARG 38 3.512 1.513 3.805
303 HD3 ARG 38 HD1 ARG 38 4.421 0.330 4.736
304 HE ARG 38 HE ARG 38 6.412 1.769 4.172
305 HH11 ARG 38 HH11 ARG 38 3.136 3.166 4.565
306 HH12 ARG 38 HH12 ARG 38 3.751 4.635 5.143
307 HH21 ARG 38 HH21 ARG 38 7.160 3.847 4.984
308 HH22 ARG 38 HH22 ARG 38 6.011 5.044 5.368
309 H GLU 39 H GLU 39 3.601 1.608 -1.348
310 HA GLU 39 HA GLU 39 4.835 3.975 -2.282
311 HB2 GLU 39 HB2 GLU 39 3.032 2.018 -3.710
312 HB3 GLU 39 HB1 GLU 39 3.979 3.269 -4.502
313 HG2 GLU 39 HG2 GLU 39 5.133 1.031 -2.857
314 HG3 GLU 39 HG1 GLU 39 4.998 1.019 -4.612
315 H ARG 40 H ARG 40 1.494 3.025 -1.834
316 HA ARG 40 HA ARG 40 0.336 5.329 -3.013
317 HB2 ARG 40 HB2 ARG 40 -0.828 3.477 -0.921
318 HB3 ARG 40 HB1 ARG 40 -1.735 4.691 -1.804
319 HG2 ARG 40 HG2 ARG 40 -0.388 2.264 -2.990
320 HG3 ARG 40 HG1 ARG 40 -2.117 2.466 -2.713
321 HD2 ARG 40 HD2 ARG 40 -0.398 4.091 -4.596
322 HD3 ARG 40 HD1 ARG 40 -1.569 2.858 -5.050
323 HE ARG 40 HE ARG 40 -2.933 4.704 -3.530
324 HH11 ARG 40 HH11 ARG 40 -1.298 4.623 -6.672
325 HH12 ARG 40 HH12 ARG 40 -2.174 5.927 -7.315
326 HH21 ARG 40 HH21 ARG 40 -4.099 6.524 -4.405
327 HH22 ARG 40 HH22 ARG 40 -3.798 7.042 -5.993
328 H GLU 41 H GLU 41 1.273 4.552 0.294
329 HA GLU 41 HA GLU 41 0.215 6.893 1.481
330 HB2 GLU 41 HB2 GLU 41 2.453 5.113 2.418
331 HB3 GLU 41 HB1 GLU 41 1.717 6.381 3.378
332 HG2 GLU 41 HG2 GLU 41 -0.442 5.178 3.200
333 HG3 GLU 41 HG1 GLU 41 0.410 3.875 2.367
334 H GLN 42 H GLN 42 3.519 6.094 0.418
335 HA GLN 42 HA GLN 42 4.373 8.733 1.259
336 HB2 GLN 42 HB2 GLN 42 5.747 6.687 1.705
337 HB3 GLN 42 HB1 GLN 42 6.024 6.553 -0.024
338 HG2 GLN 42 HG2 GLN 42 7.920 7.578 1.111
339 HG3 GLN 42 HG1 GLN 42 7.171 8.696 -0.028
340 HE21 GLN 42 1HE2 GLN 42 7.944 10.507 1.012
341 HE22 GLN 42 2HE2 GLN 42 7.367 11.037 2.548
342 H GLY 43 H GLY 43 3.198 7.331 -1.562
343 HA2 GLY 43 HA2 GLY 43 4.544 9.194 -3.309
344 HA3 GLY 43 HA1 GLY 43 3.320 8.013 -3.771
345 H ARG 44 H ARG 44 3.652 10.942 -1.775
346 HA ARG 44 HA ARG 44 2.240 12.649 -1.252
347 HB2 ARG 44 HB2 ARG 44 1.503 12.193 -4.142
348 HB3 ARG 44 HB1 ARG 44 1.079 13.635 -3.222
349 HG2 ARG 44 HG2 ARG 44 3.292 14.333 -3.057
350 HG3 ARG 44 HG1 ARG 44 3.919 12.739 -3.472
351 HD2 ARG 44 HD2 ARG 44 4.233 14.177 -5.320
352 HD3 ARG 44 HD1 ARG 44 2.997 12.987 -5.700
353 HE ARG 44 HE ARG 44 2.322 15.772 -4.923
354 HH11 ARG 44 HH11 ARG 44 1.853 13.017 -7.125
355 HH12 ARG 44 HH12 ARG 44 0.735 13.814 -8.118
356 HH21 ARG 44 HH21 ARG 44 0.843 16.887 -6.340
357 HH22 ARG 44 HH22 ARG 44 0.147 16.079 -7.668
358 H GLY 45 H GLY 45 1.291 10.168 -0.424
359 HA2 GLY 45 HA2 GLY 45 -1.355 9.580 -1.198
360 HA3 GLY 45 HA1 GLY 45 -0.560 9.030 0.269
361 H GLU 46 H GLU 46 -0.109 11.329 1.600
362 HA GLU 46 HA GLU 46 -2.847 12.309 2.036
363 HB2 GLU 46 HB2 GLU 46 -2.146 12.891 4.303
364 HB3 GLU 46 HB1 GLU 46 -1.844 11.192 3.976
365 HG2 GLU 46 HG2 GLU 46 0.515 11.684 3.592
366 HG3 GLU 46 HG1 GLU 46 0.211 13.389 3.920
367 H ASP 47 H ASP 47 0.191 13.139 0.950
368 HA ASP 47 HA ASP 47 -0.058 15.953 1.548
369 HB2 ASP 47 HB2 ASP 47 2.107 14.431 0.078
370 HB3 ASP 47 HB1 ASP 47 2.104 16.175 0.261
371 H VAL 48 H VAL 48 -1.688 16.707 0.437
372 HA VAL 48 HA VAL 48 -1.832 16.136 -2.372
373 HB VAL 48 HB VAL 48 -3.940 17.591 -2.375
374 HG11 VAL 48 HG11 VAL 48 -4.039 15.167 -2.326
375 HG12 VAL 48 HG12 VAL 48 -5.304 15.846 -1.300
376 HG13 VAL 48 3HG1 VAL 48 -3.842 15.176 -0.575
377 HG21 VAL 48 HG21 VAL 48 -3.571 17.378 0.618
378 HG22 VAL 48 HG22 VAL 48 -5.006 17.999 -0.204
379 HG23 VAL 48 HG23 VAL 48 -3.469 18.859 -0.332
380 H ASP 49 H ASP 49 0.113 16.958 -2.821
381 HA ASP 49 HA ASP 49 0.032 19.705 -3.708
382 HB2 ASP 49 HB2 ASP 49 1.137 19.846 -1.501
383 HB3 ASP 49 HB1 ASP 49 2.263 18.582 -1.982
Start of MODEL 18
1 H PCA 1 H PGL 1 -8.896 8.922 -0.331
2 HA PCA 1 HA PGL 1 -10.525 10.767 -1.132
3 HB2 PCA 1 HB1 PGL 1 -9.606 12.184 -2.649
4 HB3 PCA 1 HB2 PGL 1 -9.362 10.826 -3.781
5 HG2 PCA 1 HG1 PGL 1 -7.383 12.157 -2.111
6 HG3 PCA 1 HG2 PGL 1 -7.142 10.837 -3.307
7 H ARG 2 H ARG 2 -9.163 7.853 -2.282
8 HA ARG 2 HA ARG 2 -11.498 7.332 -3.990
9 HB2 ARG 2 HB2 ARG 2 -8.909 5.788 -3.742
10 HB3 ARG 2 HB1 ARG 2 -10.231 5.376 -4.819
11 HG2 ARG 2 HG2 ARG 2 -8.571 7.885 -4.933
12 HG3 ARG 2 HG1 ARG 2 -8.432 6.497 -6.014
13 HD2 ARG 2 HD2 ARG 2 -10.736 6.883 -6.780
14 HD3 ARG 2 HD1 ARG 2 -10.849 8.268 -5.692
15 HE ARG 2 HE ARG 2 -8.709 8.314 -7.639
16 HH11 ARG 2 HH11 ARG 2 -11.988 9.397 -6.816
17 HH12 ARG 2 HH12 ARG 2 -11.965 10.728 -7.872
18 HH21 ARG 2 HH21 ARG 2 -8.698 10.108 -9.137
19 HH22 ARG 2 HH22 ARG 2 -10.032 11.158 -9.204
20 H GLY 3 H GLY 3 -10.500 6.805 -0.854
21 HA2 GLY 3 HA2 GLY 3 -12.376 5.623 0.328
22 HA3 GLY 3 HA1 GLY 3 -11.875 4.261 -0.682
23 H SER 4 H SER 4 -11.324 3.121 1.145
24 HA SER 4 HA SER 4 -9.161 4.149 2.806
25 HB2 SER 4 HB2 SER 4 -10.840 1.659 3.072
26 HB3 SER 4 HB1 SER 4 -9.690 2.263 4.264
27 HG SER 4 HG SER 4 -12.243 2.953 3.826
28 HA PRO 5 HA PRO 5 -6.366 1.681 0.166
29 HB2 PRO 5 HB2 PRO 5 -4.360 2.567 2.155
30 HB3 PRO 5 HB1 PRO 5 -4.359 2.756 0.400
31 HG2 PRO 5 HG2 PRO 5 -4.800 4.842 2.021
32 HG3 PRO 5 HG1 PRO 5 -5.632 4.678 0.465
33 HD2 PRO 5 HD2 PRO 5 -6.659 4.149 3.226
34 HD3 PRO 5 HD1 PRO 5 -7.478 4.889 1.832
35 H ARG 6 H ARG 6 -6.560 1.675 3.647
36 HA ARG 6 HA ARG 6 -5.287 -0.811 4.050
37 HB2 ARG 6 HB2 ARG 6 -6.384 -0.784 6.308
38 HB3 ARG 6 HB1 ARG 6 -5.421 0.628 5.935
39 HG2 ARG 6 HG2 ARG 6 -7.578 1.788 5.316
40 HG3 ARG 6 HG1 ARG 6 -8.414 0.397 6.011
41 HD2 ARG 6 HD2 ARG 6 -8.197 2.194 7.655
42 HD3 ARG 6 HD1 ARG 6 -7.267 0.775 8.145
43 HE ARG 6 HE ARG 6 -5.825 2.771 6.636
44 HH11 ARG 6 HH11 ARG 6 -6.692 1.729 9.904
45 HH12 ARG 6 HH12 ARG 6 -5.277 2.310 10.625
46 HH21 ARG 6 HH21 ARG 6 -3.861 3.610 7.658
47 HH22 ARG 6 HH22 ARG 6 -3.658 3.404 9.330
48 H ALA 7 H ALA 7 -8.464 -0.020 3.001
49 HA ALA 7 HA ALA 7 -9.572 -2.594 3.567
50 HB1 ALA 7 HB1 ALA 7 -11.044 -0.639 3.250
51 HB2 ALA 7 HB2 ALA 7 -11.406 -1.905 2.078
52 HB3 ALA 7 HB3 ALA 7 -10.475 -0.490 1.588
53 H GLU 8 H GLU 8 -8.122 -0.966 0.822
54 HA GLU 8 HA GLU 8 -8.234 -2.963 -1.133
55 HB2 GLU 8 HB2 GLU 8 -5.952 -1.050 -0.591
56 HB3 GLU 8 HB1 GLU 8 -6.256 -1.888 -2.102
57 HG2 GLU 8 HG2 GLU 8 -8.053 0.175 -0.857
58 HG3 GLU 8 HG1 GLU 8 -6.917 0.470 -2.169
59 H TYR 9 H TYR 9 -6.052 -2.422 1.500
60 HA TYR 9 HA TYR 9 -4.144 -4.415 0.965
61 HB2 TYR 9 HB2 TYR 9 -3.751 -2.532 2.469
62 HB3 TYR 9 HB1 TYR 9 -4.973 -3.144 3.568
63 HD1 TYR 9 HD1 TYR 9 -1.806 -4.196 1.940
64 HD2 TYR 9 HD2 TYR 9 -4.305 -4.401 5.352
65 HE1 TYR 9 HE1 TYR 9 -0.085 -5.461 3.085
66 HE2 TYR 9 HE2 TYR 9 -2.615 -5.669 6.551
67 HH TYR 9 HH TYR 9 0.630 -5.971 5.426
68 H GLU 10 H GLU 10 -6.824 -4.406 3.320
69 HA GLU 10 HA GLU 10 -6.438 -7.078 4.088
70 HB2 GLU 10 HB2 GLU 10 -8.739 -5.193 4.481
71 HB3 GLU 10 HB1 GLU 10 -8.703 -6.831 5.149
72 HG2 GLU 10 HG2 GLU 10 -6.614 -4.750 5.693
73 HG3 GLU 10 HG1 GLU 10 -8.015 -5.028 6.723
74 H VAL 11 H VAL 11 -8.599 -5.666 1.686
75 HA VAL 11 HA VAL 11 -10.067 -8.006 1.127
76 HB VAL 11 HB VAL 11 -9.420 -5.645 -0.688
77 HG11 VAL 11 HG11 VAL 11 -11.428 -7.857 -1.140
78 HG12 VAL 11 HG12 VAL 11 -9.937 -7.627 -2.051
79 HG13 VAL 11 3HG1 VAL 11 -11.224 -6.425 -2.149
80 HG21 VAL 11 HG21 VAL 11 -10.790 -5.102 1.251
81 HG22 VAL 11 HG22 VAL 11 -11.920 -6.388 0.829
82 HG23 VAL 11 HG23 VAL 11 -11.736 -4.993 -0.233
83 H CYS 12 H CYS 12 -7.101 -6.748 -0.270
84 HA CYS 12 HA CYS 12 -6.535 -8.649 -2.196
85 HB2 CYS 12 HB2 CYS 12 -5.226 -6.644 -1.971
86 HB3 CYS 12 HB1 CYS 12 -4.720 -7.101 -0.354
87 H ARG 13 H ARG 13 -5.790 -8.680 1.248
88 HA ARG 13 HA ARG 13 -4.397 -11.160 1.207
89 HB2 ARG 13 HB2 ARG 13 -5.699 -9.749 3.554
90 HB3 ARG 13 HB1 ARG 13 -4.461 -10.998 3.659
91 HG2 ARG 13 HG2 ARG 13 -2.836 -9.512 2.620
92 HG3 ARG 13 HG1 ARG 13 -4.081 -8.307 2.366
93 HD2 ARG 13 HD2 ARG 13 -2.843 -7.593 4.250
94 HD3 ARG 13 HD1 ARG 13 -4.377 -8.190 4.854
95 HE ARG 13 HE ARG 13 -2.149 -10.067 4.915
96 HH11 ARG 13 HH11 ARG 13 -4.135 -7.797 6.783
97 HH12 ARG 13 HH12 ARG 13 -3.469 -8.267 8.281
98 HH21 ARG 13 HH21 ARG 13 -1.260 -10.636 6.881
99 HH22 ARG 13 HH22 ARG 13 -1.771 -9.963 8.372
100 H LEU 14 H LEU 14 -7.716 -10.183 1.842
101 HA LEU 14 HA LEU 14 -8.737 -12.614 2.799
102 HB2 LEU 14 HB2 LEU 14 -9.996 -10.509 2.930
103 HB3 LEU 14 HB1 LEU 14 -10.126 -10.474 1.186
104 HG LEU 14 HG LEU 14 -11.491 -12.533 1.264
105 HD11 LEU 14 HD11 LEU 14 -12.421 -13.268 3.407
106 HD12 LEU 14 HD12 LEU 14 -11.323 -12.164 4.241
107 HD13 LEU 14 HD13 LEU 14 -10.678 -13.511 3.304
108 HD21 LEU 14 HD21 LEU 14 -13.504 -11.485 2.166
109 HD22 LEU 14 HD22 LEU 14 -12.568 -10.354 1.187
110 HD23 LEU 14 HD23 LEU 14 -12.514 -10.256 2.948
111 H ARG 15 H ARG 15 -8.557 -11.307 -0.462
112 HA ARG 15 HA ARG 15 -9.808 -13.303 -1.934
113 HB2 ARG 15 HB2 ARG 15 -7.361 -11.709 -2.666
114 HB3 ARG 15 HB1 ARG 15 -8.276 -12.690 -3.793
115 HG2 ARG 15 HG2 ARG 15 -10.209 -11.261 -3.486
116 HG3 ARG 15 HG1 ARG 15 -9.320 -10.301 -2.296
117 HD2 ARG 15 HD2 ARG 15 -7.672 -9.709 -3.979
118 HD3 ARG 15 HD1 ARG 15 -8.513 -10.703 -5.164
119 HE ARG 15 HE ARG 15 -10.388 -8.966 -4.283
120 HH11 ARG 15 HH11 ARG 15 -7.150 -8.547 -5.673
121 HH12 ARG 15 HH12 ARG 15 -7.540 -7.107 -6.479
122 HH21 ARG 15 HH21 ARG 15 -10.910 -6.994 -5.364
123 HH22 ARG 15 HH22 ARG 15 -9.751 -6.166 -6.283
124 H CYS 16 H CYS 16 -6.402 -13.051 -1.081
125 HA CYS 16 HA CYS 16 -5.790 -15.503 -2.292
126 HB2 CYS 16 HB2 CYS 16 -4.199 -13.764 -0.441
127 HB3 CYS 16 HB1 CYS 16 -3.550 -15.163 -1.300
128 H GLN 17 H GLN 17 -6.679 -14.685 1.001
129 HA GLN 17 HA GLN 17 -5.879 -17.190 2.065
130 HB2 GLN 17 HB2 GLN 17 -7.953 -15.226 3.048
131 HB3 GLN 17 HB1 GLN 17 -7.437 -16.642 3.949
132 HG2 GLN 17 HG2 GLN 17 -5.147 -15.755 3.990
133 HG3 GLN 17 HG1 GLN 17 -5.706 -14.327 3.128
134 HE21 GLN 17 1HE2 GLN 17 -7.011 -12.847 4.203
135 HE22 GLN 17 2HE2 GLN 17 -7.107 -12.793 5.922
136 H VAL 18 H VAL 18 -8.701 -16.088 0.402
137 HA VAL 18 HA VAL 18 -10.221 -18.473 1.001
138 HB VAL 18 HB VAL 18 -10.847 -16.107 -0.790
139 HG11 VAL 18 HG11 VAL 18 -12.655 -18.360 0.065
140 HG12 VAL 18 HG12 VAL 18 -12.040 -18.095 -1.566
141 HG13 VAL 18 3HG1 VAL 18 -13.148 -16.930 -0.840
142 HG21 VAL 18 HG21 VAL 18 -11.869 -16.851 1.949
143 HG22 VAL 18 HG22 VAL 18 -12.416 -15.480 0.982
144 HG23 VAL 18 HG23 VAL 18 -10.755 -15.537 1.570
145 H ALA 19 H ALA 19 -8.720 -17.028 -1.878
146 HA ALA 19 HA ALA 19 -9.548 -19.279 -3.494
147 HB1 ALA 19 HB1 ALA 19 -8.656 -18.054 -5.368
148 HB2 ALA 19 HB2 ALA 19 -7.919 -16.880 -4.276
149 HB3 ALA 19 HB3 ALA 19 -9.675 -17.007 -4.378
150 H GLU 20 H GLU 20 -6.492 -18.014 -2.247
151 HA GLU 20 HA GLU 20 -5.042 -19.995 -3.763
152 HB2 GLU 20 HB2 GLU 20 -4.037 -17.821 -1.922
153 HB3 GLU 20 HB1 GLU 20 -3.023 -18.851 -2.918
154 HG2 GLU 20 HG2 GLU 20 -5.051 -16.853 -3.906
155 HG3 GLU 20 HG1 GLU 20 -3.301 -16.665 -3.933
156 H ARG 21 H ARG 21 -4.570 -21.871 -2.981
157 HA ARG 21 HA ARG 21 -5.176 -22.432 -0.213
158 HB2 ARG 21 HB2 ARG 21 -4.901 -24.837 -0.845
159 HB3 ARG 21 HB1 ARG 21 -6.135 -23.988 -1.750
160 HG2 ARG 21 HG2 ARG 21 -5.038 -25.370 -3.311
161 HG3 ARG 21 HG1 ARG 21 -4.415 -23.755 -3.610
162 HD2 ARG 21 HD2 ARG 21 -2.629 -25.396 -3.701
163 HD3 ARG 21 HD1 ARG 21 -2.403 -24.316 -2.325
164 HE ARG 21 HE ARG 21 -3.802 -26.477 -1.364
165 HH11 ARG 21 HH11 ARG 21 -0.626 -25.979 -2.861
166 HH12 ARG 21 HH12 ARG 21 0.075 -27.338 -2.113
167 HH21 ARG 21 HH21 ARG 21 -2.833 -28.264 -0.326
168 HH22 ARG 21 HH22 ARG 21 -1.196 -28.665 -0.604
169 H GLY 22 H GLY 22 -2.600 -21.310 -1.552
170 HA2 GLY 22 HA2 GLY 22 -0.767 -22.896 0.112
171 HA3 GLY 22 HA1 GLY 22 -0.294 -21.968 -1.310
172 H VAL 23 H VAL 23 0.381 -21.961 1.674
173 HA VAL 23 HA VAL 23 -0.482 -19.476 2.680
174 HB VAL 23 HB VAL 23 0.241 -21.284 4.176
175 HG11 VAL 23 HG11 VAL 23 2.050 -22.242 2.884
176 HG12 VAL 23 HG12 VAL 23 2.602 -21.833 4.508
177 HG13 VAL 23 3HG1 VAL 23 3.025 -20.797 3.145
178 HG21 VAL 23 HG21 VAL 23 1.959 -18.825 4.451
179 HG22 VAL 23 HG22 VAL 23 1.604 -19.975 5.740
180 HG23 VAL 23 HG23 VAL 23 0.306 -19.011 5.033
181 H GLU 24 H GLU 24 2.288 -20.415 0.768
182 HA GLU 24 HA GLU 24 3.682 -17.988 1.194
183 HB2 GLU 24 HB2 GLU 24 4.054 -20.079 -0.957
184 HB3 GLU 24 HB1 GLU 24 5.105 -18.694 -0.709
185 HG2 GLU 24 HG2 GLU 24 4.585 -20.880 1.282
186 HG3 GLU 24 HG1 GLU 24 6.049 -20.667 0.314
187 H GLN 25 H GLN 25 1.463 -19.144 -1.224
188 HA GLN 25 HA GLN 25 1.594 -16.944 -2.958
189 HB2 GLN 25 HB2 GLN 25 -0.764 -18.708 -2.268
190 HB3 GLN 25 HB1 GLN 25 -0.756 -17.561 -3.597
191 HG2 GLN 25 HG2 GLN 25 1.047 -19.960 -3.303
192 HG3 GLN 25 HG1 GLN 25 -0.331 -19.814 -4.390
193 HE21 GLN 25 1HE2 GLN 25 2.481 -20.326 -4.954
194 HE22 GLN 25 2HE2 GLN 25 2.983 -19.071 -6.026
195 H GLN 26 H GLN 26 -0.385 -17.544 -0.123
196 HA GLN 26 HA GLN 26 -1.776 -15.098 -0.039
197 HB2 GLN 26 HB2 GLN 26 -0.982 -17.019 2.158
198 HB3 GLN 26 HB1 GLN 26 -2.051 -15.648 2.411
199 HG2 GLN 26 HG2 GLN 26 -3.668 -16.570 0.874
200 HG3 GLN 26 HG1 GLN 26 -2.574 -17.886 0.469
201 HE21 GLN 26 1HE2 GLN 26 -4.199 -19.361 1.069
202 HE22 GLN 26 2HE2 GLN 26 -4.557 -19.705 2.713
203 H ARG 27 H ARG 27 1.347 -15.985 1.428
204 HA ARG 27 HA ARG 27 1.683 -13.454 2.656
205 HB2 ARG 27 HB2 ARG 27 3.852 -15.401 1.860
206 HB3 ARG 27 HB1 ARG 27 4.083 -14.000 2.889
207 HG2 ARG 27 HG2 ARG 27 2.316 -15.063 4.397
208 HG3 ARG 27 HG1 ARG 27 2.610 -16.541 3.474
209 HD2 ARG 27 HD2 ARG 27 4.616 -14.953 5.080
210 HD3 ARG 27 HD1 ARG 27 3.985 -16.546 5.453
211 HE ARG 27 HE ARG 27 5.166 -17.381 3.491
212 HH11 ARG 27 HH11 ARG 27 6.206 -14.200 4.719
213 HH12 ARG 27 HH12 ARG 27 7.811 -14.368 4.176
214 HH21 ARG 27 HH21 ARG 27 7.326 -17.565 2.744
215 HH22 ARG 27 HH22 ARG 27 8.480 -16.317 3.011
216 H LYS 28 H LYS 28 2.565 -14.642 -0.511
217 HA LYS 28 HA LYS 28 4.072 -12.370 -1.277
218 HB2 LYS 28 HB2 LYS 28 2.568 -14.385 -2.948
219 HB3 LYS 28 HB1 LYS 28 3.615 -13.141 -3.615
220 HG2 LYS 28 HG2 LYS 28 4.494 -15.289 -1.697
221 HG3 LYS 28 HG1 LYS 28 4.710 -15.348 -3.445
222 HD2 LYS 28 HD2 LYS 28 6.149 -13.412 -3.381
223 HD3 LYS 28 HD1 LYS 28 5.834 -13.174 -1.663
224 HE2 LYS 28 HE2 LYS 28 7.998 -14.222 -2.027
225 HE3 LYS 28 HE1 LYS 28 6.894 -15.291 -1.164
226 HZ1 LYS 28 HZ1 LYS 28 6.465 -16.440 -3.255
227 HZ2 LYS 28 HZ2 LYS 28 8.098 -16.487 -2.864
228 HZ3 LYS 28 HZ3 LYS 28 7.556 -15.443 -4.054
229 H CYS 29 H CYS 29 0.683 -13.197 -1.592
230 HA CYS 29 HA CYS 29 -0.273 -10.939 -2.882
231 HB2 CYS 29 HB2 CYS 29 -1.417 -12.682 -0.734
232 HB3 CYS 29 HB1 CYS 29 -2.394 -11.449 -1.485
233 H GLU 30 H GLU 30 0.248 -11.525 0.584
234 HA GLU 30 HA GLU 30 -0.607 -9.035 1.521
235 HB2 GLU 30 HB2 GLU 30 1.500 -10.857 2.710
236 HB3 GLU 30 HB1 GLU 30 0.694 -9.545 3.553
237 HG2 GLU 30 HG2 GLU 30 -1.455 -10.736 3.272
238 HG3 GLU 30 HG1 GLU 30 -0.576 -12.064 2.516
239 H GLN 31 H GLN 31 2.617 -10.169 0.669
240 HA GLN 31 HA GLN 31 4.050 -7.870 1.266
241 HB2 GLN 31 HB2 GLN 31 5.143 -9.973 0.763
242 HB3 GLN 31 HB1 GLN 31 4.573 -9.898 -0.899
243 HG2 GLN 31 HG2 GLN 31 5.895 -7.846 -1.233
244 HG3 GLN 31 HG1 GLN 31 6.513 -8.004 0.408
245 HE21 GLN 31 1HE2 GLN 31 8.602 -8.195 -0.288
246 HE22 GLN 31 2HE2 GLN 31 9.192 -9.618 -1.070
247 H VAL 32 H VAL 32 2.820 -8.811 -1.956
248 HA VAL 32 HA VAL 32 3.690 -6.470 -3.231
249 HB VAL 32 HB VAL 32 1.407 -8.301 -4.061
250 HG11 VAL 32 HG11 VAL 32 1.313 -6.151 -5.216
251 HG12 VAL 32 HG12 VAL 32 1.777 -7.444 -6.325
252 HG13 VAL 32 3HG1 VAL 32 2.998 -6.329 -5.706
253 HG21 VAL 32 HG21 VAL 32 4.321 -8.306 -4.831
254 HG22 VAL 32 HG22 VAL 32 3.078 -9.340 -5.531
255 HG23 VAL 32 HG23 VAL 32 3.501 -9.501 -3.824
256 H CYS 33 H CYS 33 0.682 -7.181 -1.545
257 HA CYS 33 HA CYS 33 -0.423 -4.696 -2.362
258 HB2 CYS 33 HB2 CYS 33 -1.349 -6.838 -0.495
259 HB3 CYS 33 HB1 CYS 33 -2.233 -5.320 -0.645
260 H GLU 34 H GLU 34 1.498 -5.726 0.337
261 HA GLU 34 HA GLU 34 0.883 -3.442 1.905
262 HB2 GLU 34 HB2 GLU 34 1.840 -5.651 2.748
263 HB3 GLU 34 HB1 GLU 34 3.356 -5.150 2.034
264 HG2 GLU 34 HG2 GLU 34 3.608 -3.360 3.517
265 HG3 GLU 34 HG1 GLU 34 1.933 -3.479 4.065
266 H GLU 35 H GLU 35 3.197 -4.256 -0.568
267 HA GLU 35 HA GLU 35 4.894 -2.063 -0.376
268 HB2 GLU 35 HB2 GLU 35 3.998 -3.595 -2.813
269 HB3 GLU 35 HB1 GLU 35 5.287 -2.401 -2.834
270 HG2 GLU 35 HG2 GLU 35 5.281 -4.893 -1.144
271 HG3 GLU 35 HG1 GLU 35 6.105 -4.725 -2.692
272 H ARG 36 H ARG 36 1.739 -2.299 -1.984
273 HA ARG 36 HA ARG 36 1.929 0.400 -2.942
274 HB2 ARG 36 HB2 ARG 36 -0.401 0.227 -3.671
275 HB3 ARG 36 HB1 ARG 36 0.494 -1.192 -4.175
276 HG2 ARG 36 HG2 ARG 36 -0.541 -2.468 -2.369
277 HG3 ARG 36 HG1 ARG 36 -1.392 -1.020 -1.836
278 HD2 ARG 36 HD2 ARG 36 -2.551 -0.909 -3.997
279 HD3 ARG 36 HD1 ARG 36 -1.705 -2.363 -4.520
280 HE ARG 36 HE ARG 36 -2.998 -2.952 -2.136
281 HH11 ARG 36 HH11 ARG 36 -3.932 -2.040 -5.402
282 HH12 ARG 36 HH12 ARG 36 -5.373 -2.936 -5.430
283 HH21 ARG 36 HH21 ARG 36 -5.065 -4.262 -2.165
284 HH22 ARG 36 HH22 ARG 36 -5.987 -4.213 -3.566
285 H LEU 37 H LEU 37 0.776 -1.094 -0.045
286 HA LEU 37 HA LEU 37 -0.583 1.187 0.955
287 HB2 LEU 37 HB2 LEU 37 0.335 -1.406 2.049
288 HB3 LEU 37 HB1 LEU 37 0.052 -0.121 3.202
289 HG LEU 37 HG LEU 37 -1.853 -1.708 2.849
290 HD11 LEU 37 HD11 LEU 37 -2.145 0.469 3.852
291 HD12 LEU 37 HD12 LEU 37 -3.539 0.063 2.846
292 HD13 LEU 37 HD13 LEU 37 -2.327 1.207 2.259
293 HD21 LEU 37 HD21 LEU 37 -2.064 -0.277 0.190
294 HD22 LEU 37 HD22 LEU 37 -3.307 -1.315 0.871
295 HD23 LEU 37 HD23 LEU 37 -1.739 -1.992 0.428
296 H ARG 38 H ARG 38 2.675 -0.016 1.243
297 HA ARG 38 HA ARG 38 3.701 1.864 2.998
298 HB2 ARG 38 HB2 ARG 38 5.040 0.441 0.711
299 HB3 ARG 38 HB1 ARG 38 5.910 1.424 1.882
300 HG2 ARG 38 HG2 ARG 38 5.191 -0.037 3.682
301 HG3 ARG 38 HG1 ARG 38 4.247 -0.997 2.541
302 HD2 ARG 38 HD2 ARG 38 6.356 -2.072 3.033
303 HD3 ARG 38 HD1 ARG 38 6.282 -1.564 1.343
304 HE ARG 38 HE ARG 38 7.560 0.237 3.228
305 HH11 ARG 38 HH11 ARG 38 8.033 -2.274 0.721
306 HH12 ARG 38 HH12 ARG 38 9.618 -1.792 0.387
307 HH21 ARG 38 HH21 ARG 38 9.753 0.855 2.748
308 HH22 ARG 38 HH22 ARG 38 10.629 0.008 1.556
309 H GLU 39 H GLU 39 3.155 2.072 -0.462
310 HA GLU 39 HA GLU 39 4.361 4.544 -0.986
311 HB2 GLU 39 HB2 GLU 39 1.883 3.303 -2.186
312 HB3 GLU 39 HB1 GLU 39 2.621 4.774 -2.796
313 HG2 GLU 39 HG2 GLU 39 3.914 2.061 -2.681
314 HG3 GLU 39 HG1 GLU 39 3.241 2.832 -4.118
315 H ARG 40 H ARG 40 1.222 3.748 0.347
316 HA ARG 40 HA ARG 40 0.170 6.385 0.193
317 HB2 ARG 40 HB2 ARG 40 -0.724 4.080 1.923
318 HB3 ARG 40 HB1 ARG 40 -1.632 5.558 1.645
319 HG2 ARG 40 HG2 ARG 40 -0.917 3.486 -0.426
320 HG3 ARG 40 HG1 ARG 40 -2.499 3.724 0.312
321 HD2 ARG 40 HD2 ARG 40 -1.025 5.695 -1.444
322 HD3 ARG 40 HD1 ARG 40 -2.409 4.719 -1.914
323 HE ARG 40 HE ARG 40 -3.139 6.223 0.323
324 HH11 ARG 40 HH11 ARG 40 -2.336 6.757 -3.076
325 HH12 ARG 40 HH12 ARG 40 -3.274 8.169 -3.204
326 HH21 ARG 40 HH21 ARG 40 -4.390 8.183 0.140
327 HH22 ARG 40 HH22 ARG 40 -4.424 9.019 -1.339
328 H GLU 41 H GLU 41 1.945 4.647 2.664
329 HA GLU 41 HA GLU 41 1.576 6.871 4.492
330 HB2 GLU 41 HB2 GLU 41 2.925 5.482 6.088
331 HB3 GLU 41 HB1 GLU 41 1.407 4.779 5.562
332 HG2 GLU 41 HG2 GLU 41 2.686 3.458 3.897
333 HG3 GLU 41 HG1 GLU 41 4.170 4.061 4.638
334 H GLN 42 H GLN 42 3.924 5.880 2.224
335 HA GLN 42 HA GLN 42 5.912 7.626 3.382
336 HB2 GLN 42 HB2 GLN 42 5.893 6.033 0.828
337 HB3 GLN 42 HB1 GLN 42 7.235 7.073 1.303
338 HG2 GLN 42 HG2 GLN 42 7.538 5.779 3.341
339 HG3 GLN 42 HG1 GLN 42 6.177 4.757 2.902
340 HE21 GLN 42 1HE2 GLN 42 6.921 4.677 0.091
341 HE22 GLN 42 2HE2 GLN 42 8.285 3.632 0.009
342 H GLY 43 H GLY 43 3.424 7.700 1.133
343 HA2 GLY 43 HA2 GLY 43 3.995 10.517 0.564
344 HA3 GLY 43 HA1 GLY 43 2.909 9.484 -0.380
345 H ARG 44 H ARG 44 3.372 10.165 3.027
346 HA ARG 44 HA ARG 44 0.614 9.806 3.645
347 HB2 ARG 44 HB2 ARG 44 1.241 10.650 5.939
348 HB3 ARG 44 HB1 ARG 44 2.163 9.264 5.379
349 HG2 ARG 44 HG2 ARG 44 4.033 10.711 4.821
350 HG3 ARG 44 HG1 ARG 44 3.105 12.125 5.315
351 HD2 ARG 44 HD2 ARG 44 3.846 9.828 7.122
352 HD3 ARG 44 HD1 ARG 44 4.746 11.335 7.020
353 HE ARG 44 HE ARG 44 2.084 10.935 8.161
354 HH11 ARG 44 HH11 ARG 44 4.752 13.163 7.453
355 HH12 ARG 44 HH12 ARG 44 4.268 14.317 8.606
356 HH21 ARG 44 HH21 ARG 44 1.472 12.527 9.769
357 HH22 ARG 44 HH22 ARG 44 2.385 13.956 9.956
358 H GLY 45 H GLY 45 2.568 12.562 2.918
359 HA2 GLY 45 HA2 GLY 45 0.198 14.256 3.239
360 HA3 GLY 45 HA1 GLY 45 1.858 14.847 3.291
361 H GLU 46 H GLU 46 -0.001 15.899 1.551
362 HA GLU 46 HA GLU 46 1.233 15.077 -0.940
363 HB2 GLU 46 HB2 GLU 46 -0.939 13.975 -0.898
364 HB3 GLU 46 HB1 GLU 46 -1.730 15.517 -0.606
365 HG2 GLU 46 HG2 GLU 46 -0.882 16.323 -2.781
366 HG3 GLU 46 HG1 GLU 46 -0.200 14.724 -3.072
367 H ASP 47 H ASP 47 2.460 16.814 -0.887
368 HA ASP 47 HA ASP 47 1.122 19.418 -1.242
369 HB2 ASP 47 HB2 ASP 47 2.912 19.339 0.498
370 HB3 ASP 47 HB1 ASP 47 4.053 18.813 -0.732
371 H VAL 48 H VAL 48 3.099 16.970 -2.575
372 HA VAL 48 HA VAL 48 3.374 18.324 -5.149
373 HB VAL 48 HB VAL 48 4.626 15.747 -4.139
374 HG11 VAL 48 HG11 VAL 48 5.252 17.384 -6.586
375 HG12 VAL 48 HG12 VAL 48 4.463 15.808 -6.554
376 HG13 VAL 48 3HG1 VAL 48 6.147 15.962 -6.049
377 HG21 VAL 48 HG21 VAL 48 5.860 18.484 -4.343
378 HG22 VAL 48 HG22 VAL 48 6.719 17.003 -3.912
379 HG23 VAL 48 HG23 VAL 48 5.458 17.637 -2.849
380 H ASP 49 H ASP 49 2.249 17.480 -6.875
381 HA ASP 49 HA ASP 49 0.480 15.217 -6.332
382 HB2 ASP 49 HB2 ASP 49 0.403 17.314 -8.523
383 HB3 ASP 49 HB1 ASP 49 -0.677 15.931 -8.454
Start of MODEL 19
1 H PCA 1 H PGL 1 -14.010 0.280 -8.206
2 HA PCA 1 HA PGL 1 -12.426 -1.225 -9.434
3 HB2 PCA 1 HB1 PGL 1 -12.193 -0.579 -11.615
4 HB3 PCA 1 HB2 PGL 1 -11.149 0.761 -11.062
5 HG2 PCA 1 HG1 PGL 1 -13.953 0.857 -11.951
6 HG3 PCA 1 HG2 PGL 1 -12.815 2.210 -11.619
7 H ARG 2 H ARG 2 -12.369 1.201 -7.430
8 HA ARG 2 HA ARG 2 -9.692 0.720 -6.556
9 HB2 ARG 2 HB2 ARG 2 -9.490 2.585 -8.255
10 HB3 ARG 2 HB1 ARG 2 -10.529 3.545 -7.214
11 HG2 ARG 2 HG2 ARG 2 -8.855 3.376 -5.421
12 HG3 ARG 2 HG1 ARG 2 -7.803 2.475 -6.518
13 HD2 ARG 2 HD2 ARG 2 -7.924 4.417 -8.087
14 HD3 ARG 2 HD1 ARG 2 -8.774 5.310 -6.836
15 HE ARG 2 HE ARG 2 -6.086 4.208 -6.437
16 HH11 ARG 2 HH11 ARG 2 -8.354 6.937 -6.133
17 HH12 ARG 2 HH12 ARG 2 -7.177 8.033 -5.593
18 HH21 ARG 2 HH21 ARG 2 -4.445 5.770 -5.686
19 HH22 ARG 2 HH22 ARG 2 -4.941 7.361 -5.340
20 H GLY 3 H GLY 3 -9.967 0.513 -4.403
21 HA2 GLY 3 HA2 GLY 3 -12.152 2.022 -3.166
22 HA3 GLY 3 HA1 GLY 3 -11.640 0.415 -2.653
23 H SER 4 H SER 4 -11.569 1.644 -0.632
24 HA SER 4 HA SER 4 -9.552 3.540 -0.103
25 HB2 SER 4 HB2 SER 4 -10.922 1.614 1.807
26 HB3 SER 4 HB1 SER 4 -10.164 3.155 2.221
27 HG SER 4 HG SER 4 -11.853 3.695 0.327
28 HA PRO 5 HA PRO 5 -6.101 0.891 -0.741
29 HB2 PRO 5 HB2 PRO 5 -4.312 2.135 0.999
30 HB3 PRO 5 HB1 PRO 5 -4.612 2.593 -0.679
31 HG2 PRO 5 HG2 PRO 5 -5.740 3.742 1.835
32 HG3 PRO 5 HG1 PRO 5 -5.236 4.568 0.351
33 HD2 PRO 5 HD2 PRO 5 -7.812 4.166 0.897
34 HD3 PRO 5 HD1 PRO 5 -7.205 4.016 -0.766
35 H ARG 6 H ARG 6 -6.704 1.625 2.671
36 HA ARG 6 HA ARG 6 -5.178 -0.670 3.563
37 HB2 ARG 6 HB2 ARG 6 -7.058 1.016 5.223
38 HB3 ARG 6 HB1 ARG 6 -5.731 0.018 5.795
39 HG2 ARG 6 HG2 ARG 6 -4.130 1.501 4.671
40 HG3 ARG 6 HG1 ARG 6 -5.460 2.519 4.130
41 HD2 ARG 6 HD2 ARG 6 -4.595 3.576 6.037
42 HD3 ARG 6 HD1 ARG 6 -6.061 2.768 6.581
43 HE ARG 6 HE ARG 6 -3.343 1.740 6.956
44 HH11 ARG 6 HH11 ARG 6 -6.692 2.122 8.147
45 HH12 ARG 6 HH12 ARG 6 -6.361 1.469 9.677
46 HH21 ARG 6 HH21 ARG 6 -2.936 0.831 9.090
47 HH22 ARG 6 HH22 ARG 6 -4.193 0.754 10.247
48 H ALA 7 H ALA 7 -8.462 0.016 2.820
49 HA ALA 7 HA ALA 7 -9.545 -2.335 4.051
50 HB1 ALA 7 HB1 ALA 7 -10.645 -0.617 1.817
51 HB2 ALA 7 HB2 ALA 7 -10.973 -0.399 3.538
52 HB3 ALA 7 HB3 ALA 7 -11.545 -1.847 2.706
53 H GLU 8 H GLU 8 -8.591 -1.345 0.830
54 HA GLU 8 HA GLU 8 -8.980 -3.772 -0.477
55 HB2 GLU 8 HB2 GLU 8 -7.215 -1.422 -1.007
56 HB3 GLU 8 HB1 GLU 8 -7.214 -2.827 -2.065
57 HG2 GLU 8 HG2 GLU 8 -9.648 -1.226 -1.356
58 HG3 GLU 8 HG1 GLU 8 -8.698 -1.001 -2.824
59 H TYR 9 H TYR 9 -6.341 -2.626 1.465
60 HA TYR 9 HA TYR 9 -4.447 -4.609 0.924
61 HB2 TYR 9 HB2 TYR 9 -3.910 -2.660 2.288
62 HB3 TYR 9 HB1 TYR 9 -5.062 -3.163 3.514
63 HD1 TYR 9 HD1 TYR 9 -4.443 -4.674 5.211
64 HD2 TYR 9 HD2 TYR 9 -1.855 -4.047 1.913
65 HE1 TYR 9 HE1 TYR 9 -2.719 -5.943 6.363
66 HE2 TYR 9 HE2 TYR 9 -0.090 -5.310 3.040
67 HH TYR 9 HH TYR 9 0.583 -5.969 5.347
68 H GLU 10 H GLU 10 -6.952 -4.494 3.417
69 HA GLU 10 HA GLU 10 -6.561 -7.104 4.368
70 HB2 GLU 10 HB2 GLU 10 -8.866 -5.197 4.527
71 HB3 GLU 10 HB1 GLU 10 -8.894 -6.795 5.286
72 HG2 GLU 10 HG2 GLU 10 -6.824 -4.694 5.841
73 HG3 GLU 10 HG1 GLU 10 -8.288 -4.924 6.800
74 H VAL 11 H VAL 11 -8.797 -5.819 1.945
75 HA VAL 11 HA VAL 11 -10.079 -8.279 1.446
76 HB VAL 11 HB VAL 11 -9.783 -5.963 -0.509
77 HG11 VAL 11 HG11 VAL 11 -10.506 -8.021 -1.600
78 HG12 VAL 11 HG12 VAL 11 -11.826 -6.852 -1.535
79 HG13 VAL 11 3HG1 VAL 11 -11.795 -8.211 -0.411
80 HG21 VAL 11 HG21 VAL 11 -11.991 -5.252 0.287
81 HG22 VAL 11 HG22 VAL 11 -10.797 -5.233 1.585
82 HG23 VAL 11 HG23 VAL 11 -11.971 -6.545 1.485
83 H CYS 12 H CYS 12 -7.165 -6.840 0.070
84 HA CYS 12 HA CYS 12 -6.581 -8.618 -1.991
85 HB2 CYS 12 HB2 CYS 12 -5.216 -6.645 -1.644
86 HB3 CYS 12 HB1 CYS 12 -4.748 -7.190 -0.042
87 H ARG 13 H ARG 13 -5.921 -8.851 1.435
88 HA ARG 13 HA ARG 13 -4.539 -11.309 1.440
89 HB2 ARG 13 HB2 ARG 13 -6.222 -10.017 3.583
90 HB3 ARG 13 HB1 ARG 13 -5.057 -11.303 3.868
91 HG2 ARG 13 HG2 ARG 13 -3.271 -9.835 3.145
92 HG3 ARG 13 HG1 ARG 13 -4.433 -8.558 2.808
93 HD2 ARG 13 HD2 ARG 13 -3.424 -8.106 4.934
94 HD3 ARG 13 HD1 ARG 13 -5.093 -8.596 5.201
95 HE ARG 13 HE ARG 13 -3.226 -10.756 5.378
96 HH11 ARG 13 HH11 ARG 13 -4.857 -8.150 7.194
97 HH12 ARG 13 HH12 ARG 13 -4.471 -8.820 8.710
98 HH21 ARG 13 HH21 ARG 13 -2.692 -11.616 7.534
99 HH22 ARG 13 HH22 ARG 13 -3.234 -10.757 8.906
100 H LEU 14 H LEU 14 -7.911 -10.453 1.975
101 HA LEU 14 HA LEU 14 -8.989 -12.971 2.466
102 HB2 LEU 14 HB2 LEU 14 -10.188 -10.902 2.896
103 HB3 LEU 14 HB1 LEU 14 -10.225 -10.540 1.187
104 HG LEU 14 HG LEU 14 -11.748 -12.426 0.808
105 HD11 LEU 14 HD11 LEU 14 -11.662 -12.763 3.803
106 HD12 LEU 14 HD12 LEU 14 -11.013 -13.893 2.611
107 HD13 LEU 14 HD13 LEU 14 -12.748 -13.600 2.695
108 HD21 LEU 14 HD21 LEU 14 -12.653 -10.210 1.263
109 HD22 LEU 14 HD22 LEU 14 -12.636 -10.548 2.992
110 HD23 LEU 14 HD23 LEU 14 -13.699 -11.464 1.927
111 H ARG 15 H ARG 15 -8.624 -11.238 -0.592
112 HA ARG 15 HA ARG 15 -9.830 -13.066 -2.332
113 HB2 ARG 15 HB2 ARG 15 -7.483 -11.230 -2.814
114 HB3 ARG 15 HB1 ARG 15 -8.315 -12.093 -4.091
115 HG2 ARG 15 HG2 ARG 15 -10.359 -10.878 -3.609
116 HG3 ARG 15 HG1 ARG 15 -9.574 -10.072 -2.250
117 HD2 ARG 15 HD2 ARG 15 -7.930 -9.112 -3.834
118 HD3 ARG 15 HD1 ARG 15 -8.839 -9.825 -5.165
119 HE ARG 15 HE ARG 15 -10.743 -8.463 -4.384
120 HH11 ARG 15 HH11 ARG 15 -7.419 -7.395 -3.817
121 HH12 ARG 15 HH12 ARG 15 -7.816 -5.762 -3.588
122 HH21 ARG 15 HH21 ARG 15 -11.297 -6.182 -4.061
123 HH22 ARG 15 HH22 ARG 15 -10.084 -5.034 -3.719
124 H CYS 16 H CYS 16 -6.490 -12.890 -1.207
125 HA CYS 16 HA CYS 16 -5.743 -15.171 -2.677
126 HB2 CYS 16 HB2 CYS 16 -4.370 -13.690 -0.471
127 HB3 CYS 16 HB1 CYS 16 -3.668 -15.085 -1.290
128 H GLN 17 H GLN 17 -6.931 -14.745 0.612
129 HA GLN 17 HA GLN 17 -6.328 -17.396 1.394
130 HB2 GLN 17 HB2 GLN 17 -8.537 -15.596 2.404
131 HB3 GLN 17 HB1 GLN 17 -8.061 -17.112 3.151
132 HG2 GLN 17 HG2 GLN 17 -5.789 -16.160 3.482
133 HG3 GLN 17 HG1 GLN 17 -6.403 -14.622 2.886
134 HE21 GLN 17 1HE2 GLN 17 -5.993 -13.588 4.812
135 HE22 GLN 17 2HE2 GLN 17 -6.950 -13.865 6.224
136 H VAL 18 H VAL 18 -8.940 -16.036 -0.423
137 HA VAL 18 HA VAL 18 -10.492 -18.435 -0.444
138 HB VAL 18 HB VAL 18 -10.570 -16.020 -2.283
139 HG11 VAL 18 HG11 VAL 18 -11.489 -17.962 -3.428
140 HG12 VAL 18 HG12 VAL 18 -12.777 -16.838 -2.998
141 HG13 VAL 18 3HG1 VAL 18 -12.530 -18.305 -2.049
142 HG21 VAL 18 HG21 VAL 18 -11.160 -15.505 0.024
143 HG22 VAL 18 HG22 VAL 18 -12.337 -16.818 0.031
144 HG23 VAL 18 HG23 VAL 18 -12.584 -15.418 -1.013
145 H ALA 19 H ALA 19 -8.246 -16.925 -2.723
146 HA ALA 19 HA ALA 19 -8.569 -18.949 -4.703
147 HB1 ALA 19 HB1 ALA 19 -6.842 -17.794 -5.923
148 HB2 ALA 19 HB2 ALA 19 -6.407 -16.879 -4.481
149 HB3 ALA 19 HB3 ALA 19 -7.977 -16.626 -5.239
150 H GLU 20 H GLU 20 -5.922 -18.221 -2.433
151 HA GLU 20 HA GLU 20 -4.882 -20.925 -2.849
152 HB2 GLU 20 HB2 GLU 20 -3.193 -18.413 -2.856
153 HB3 GLU 20 HB1 GLU 20 -2.616 -20.062 -2.985
154 HG2 GLU 20 HG2 GLU 20 -3.642 -20.281 -5.163
155 HG3 GLU 20 HG1 GLU 20 -4.340 -18.671 -5.016
156 H ARG 21 H ARG 21 -5.652 -21.393 -0.733
157 HA ARG 21 HA ARG 21 -4.858 -19.568 1.334
158 HB2 ARG 21 HB2 ARG 21 -6.143 -21.041 2.917
159 HB3 ARG 21 HB1 ARG 21 -7.084 -20.308 1.633
160 HG2 ARG 21 HG2 ARG 21 -7.038 -22.452 0.425
161 HG3 ARG 21 HG1 ARG 21 -6.141 -23.167 1.769
162 HD2 ARG 21 HD2 ARG 21 -8.902 -21.949 1.908
163 HD3 ARG 21 HD1 ARG 21 -8.526 -23.671 1.949
164 HE ARG 21 HE ARG 21 -7.153 -22.955 4.007
165 HH11 ARG 21 HH11 ARG 21 -10.360 -21.698 3.131
166 HH12 ARG 21 HH12 ARG 21 -10.821 -21.368 4.726
167 HH21 ARG 21 HH21 ARG 21 -7.808 -22.443 6.206
168 HH22 ARG 21 HH22 ARG 21 -9.354 -21.781 6.509
169 H GLY 22 H GLY 22 -2.665 -19.975 0.706
170 HA2 GLY 22 HA2 GLY 22 -1.511 -21.959 2.525
171 HA3 GLY 22 HA1 GLY 22 -0.828 -21.675 0.919
172 H VAL 23 H VAL 23 0.354 -21.291 3.557
173 HA VAL 23 HA VAL 23 0.321 -18.618 4.409
174 HB VAL 23 HB VAL 23 2.593 -20.597 4.720
175 HG11 VAL 23 HG11 VAL 23 3.300 -18.323 5.217
176 HG12 VAL 23 HG12 VAL 23 3.198 -19.271 6.701
177 HG13 VAL 23 3HG1 VAL 23 1.926 -18.117 6.302
178 HG21 VAL 23 HG21 VAL 23 1.603 -21.112 6.889
179 HG22 VAL 23 HG22 VAL 23 0.485 -21.480 5.574
180 HG23 VAL 23 HG23 VAL 23 0.262 -20.023 6.541
181 H GLU 24 H GLU 24 2.591 -20.241 2.245
182 HA GLU 24 HA GLU 24 4.248 -17.954 1.926
183 HB2 GLU 24 HB2 GLU 24 4.028 -20.392 0.162
184 HB3 GLU 24 HB1 GLU 24 5.339 -19.220 0.128
185 HG2 GLU 24 HG2 GLU 24 5.787 -19.799 2.529
186 HG3 GLU 24 HG1 GLU 24 4.631 -21.111 2.352
187 H GLN 25 H GLN 25 1.512 -19.194 0.250
188 HA GLN 25 HA GLN 25 1.620 -17.535 -2.013
189 HB2 GLN 25 HB2 GLN 25 -0.657 -19.002 -0.671
190 HB3 GLN 25 HB1 GLN 25 -0.871 -18.077 -2.145
191 HG2 GLN 25 HG2 GLN 25 -0.652 -20.439 -2.668
192 HG3 GLN 25 HG1 GLN 25 0.722 -19.548 -3.298
193 HE21 GLN 25 1HE2 GLN 25 1.932 -21.396 -3.443
194 HE22 GLN 25 2HE2 GLN 25 2.615 -22.193 -2.064
195 H GLN 26 H GLN 26 0.095 -17.206 1.155
196 HA GLN 26 HA GLN 26 -1.158 -14.681 0.708
197 HB2 GLN 26 HB2 GLN 26 -0.066 -15.729 3.341
198 HB3 GLN 26 HB1 GLN 26 -1.268 -14.465 3.100
199 HG2 GLN 26 HG2 GLN 26 -1.621 -17.352 2.431
200 HG3 GLN 26 HG1 GLN 26 -2.252 -16.530 3.856
201 HE21 GLN 26 1HE2 GLN 26 -3.565 -17.895 1.696
202 HE22 GLN 26 2HE2 GLN 26 -4.666 -16.753 1.020
203 H ARG 27 H ARG 27 2.028 -15.637 1.780
204 HA ARG 27 HA ARG 27 3.022 -13.154 2.549
205 HB2 ARG 27 HB2 ARG 27 4.465 -15.499 1.348
206 HB3 ARG 27 HB1 ARG 27 5.290 -14.084 1.976
207 HG2 ARG 27 HG2 ARG 27 4.317 -14.507 4.177
208 HG3 ARG 27 HG1 ARG 27 3.504 -15.934 3.530
209 HD2 ARG 27 HD2 ARG 27 5.694 -16.896 2.964
210 HD3 ARG 27 HD1 ARG 27 6.475 -15.477 3.655
211 HE ARG 27 HE ARG 27 4.922 -16.306 5.647
212 HH11 ARG 27 HH11 ARG 27 7.305 -18.016 3.649
213 HH12 ARG 27 HH12 ARG 27 7.730 -19.138 4.842
214 HH21 ARG 27 HH21 ARG 27 5.524 -17.843 7.322
215 HH22 ARG 27 HH22 ARG 27 6.704 -19.023 7.005
216 H LYS 28 H LYS 28 2.882 -14.584 -0.655
217 HA LYS 28 HA LYS 28 4.266 -12.495 -1.988
218 HB2 LYS 28 HB2 LYS 28 2.114 -14.363 -2.996
219 HB3 LYS 28 HB1 LYS 28 3.026 -13.274 -4.024
220 HG2 LYS 28 HG2 LYS 28 4.200 -15.505 -2.381
221 HG3 LYS 28 HG1 LYS 28 3.853 -15.570 -4.111
222 HD2 LYS 28 HD2 LYS 28 5.399 -13.643 -4.433
223 HD3 LYS 28 HD1 LYS 28 5.814 -13.742 -2.722
224 HE2 LYS 28 HE2 LYS 28 7.472 -14.877 -4.116
225 HE3 LYS 28 HE1 LYS 28 6.653 -16.002 -3.037
226 HZ1 LYS 28 HZ1 LYS 28 6.882 -16.901 -5.278
227 HZ2 LYS 28 HZ2 LYS 28 5.977 -15.619 -5.913
228 HZ3 LYS 28 HZ3 LYS 28 5.272 -16.718 -4.856
229 H CYS 29 H CYS 29 0.829 -13.110 -1.580
230 HA CYS 29 HA CYS 29 -0.267 -10.881 -2.776
231 HB2 CYS 29 HB2 CYS 29 -1.151 -12.508 -0.426
232 HB3 CYS 29 HB1 CYS 29 -2.223 -11.411 -1.265
233 H GLU 30 H GLU 30 0.490 -11.358 0.655
234 HA GLU 30 HA GLU 30 -0.304 -8.802 1.442
235 HB2 GLU 30 HB2 GLU 30 1.393 -10.887 2.801
236 HB3 GLU 30 HB1 GLU 30 0.937 -9.369 3.571
237 HG2 GLU 30 HG2 GLU 30 -1.382 -9.902 3.371
238 HG3 GLU 30 HG1 GLU 30 -1.028 -11.391 2.492
239 H GLN 31 H GLN 31 2.799 -10.060 0.373
240 HA GLN 31 HA GLN 31 4.349 -7.833 1.148
241 HB2 GLN 31 HB2 GLN 31 5.323 -9.990 0.456
242 HB3 GLN 31 HB1 GLN 31 4.779 -9.704 -1.191
243 HG2 GLN 31 HG2 GLN 31 7.114 -9.187 -1.027
244 HG3 GLN 31 HG1 GLN 31 6.210 -7.695 -1.273
245 HE21 GLN 31 1HE2 GLN 31 7.675 -6.378 -0.374
246 HE22 GLN 31 2HE2 GLN 31 8.074 -6.353 1.308
247 H VAL 32 H VAL 32 2.961 -8.676 -2.014
248 HA VAL 32 HA VAL 32 3.731 -6.351 -3.362
249 HB VAL 32 HB VAL 32 1.341 -8.134 -3.939
250 HG11 VAL 32 HG11 VAL 32 2.807 -6.243 -5.782
251 HG12 VAL 32 HG12 VAL 32 1.218 -5.964 -5.087
252 HG13 VAL 32 3HG1 VAL 32 1.459 -7.294 -6.223
253 HG21 VAL 32 HG21 VAL 32 3.433 -9.371 -3.879
254 HG22 VAL 32 HG22 VAL 32 4.161 -8.220 -4.999
255 HG23 VAL 32 HG23 VAL 32 2.829 -9.246 -5.531
256 H CYS 33 H CYS 33 0.634 -7.118 -1.789
257 HA CYS 33 HA CYS 33 -0.456 -4.596 -2.370
258 HB2 CYS 33 HB2 CYS 33 -1.325 -6.728 -0.416
259 HB3 CYS 33 HB1 CYS 33 -2.219 -5.227 -0.647
260 H GLU 34 H GLU 34 1.465 -5.720 0.404
261 HA GLU 34 HA GLU 34 0.831 -3.439 1.979
262 HB2 GLU 34 HB2 GLU 34 1.787 -5.635 2.877
263 HB3 GLU 34 HB1 GLU 34 3.307 -5.128 2.188
264 HG2 GLU 34 HG2 GLU 34 3.474 -3.267 3.633
265 HG3 GLU 34 HG1 GLU 34 1.823 -3.495 4.213
266 H GLU 35 H GLU 35 3.449 -4.204 -0.282
267 HA GLU 35 HA GLU 35 4.829 -1.806 0.221
268 HB2 GLU 35 HB2 GLU 35 4.836 -3.587 -2.211
269 HB3 GLU 35 HB1 GLU 35 5.873 -2.177 -2.056
270 HG2 GLU 35 HG2 GLU 35 6.818 -3.166 0.013
271 HG3 GLU 35 HG1 GLU 35 5.868 -4.615 -0.300
272 H ARG 36 H ARG 36 2.126 -2.540 -1.796
273 HA ARG 36 HA ARG 36 2.030 -0.101 -3.258
274 HB2 ARG 36 HB2 ARG 36 0.765 -2.243 -3.763
275 HB3 ARG 36 HB1 ARG 36 -0.295 -1.843 -2.424
276 HG2 ARG 36 HG2 ARG 36 -0.915 0.240 -3.572
277 HG3 ARG 36 HG1 ARG 36 0.088 -0.245 -4.942
278 HD2 ARG 36 HD2 ARG 36 -2.130 -0.867 -5.481
279 HD3 ARG 36 HD1 ARG 36 -1.283 -2.351 -5.051
280 HE ARG 36 HE ARG 36 -2.806 -0.999 -2.973
281 HH11 ARG 36 HH11 ARG 36 -2.466 -3.850 -5.037
282 HH12 ARG 36 HH12 ARG 36 -3.902 -4.572 -4.536
283 HH21 ARG 36 HH21 ARG 36 -4.778 -1.978 -2.263
284 HH22 ARG 36 HH22 ARG 36 -5.290 -3.476 -2.926
285 H LEU 37 H LEU 37 0.755 -1.210 -0.207
286 HA LEU 37 HA LEU 37 -0.744 1.087 0.491
287 HB2 LEU 37 HB2 LEU 37 0.122 -1.419 1.758
288 HB3 LEU 37 HB1 LEU 37 -0.201 -0.095 2.853
289 HG LEU 37 HG LEU 37 -2.095 -1.671 2.483
290 HD11 LEU 37 HD11 LEU 37 -2.415 0.515 3.375
291 HD12 LEU 37 HD12 LEU 37 -3.748 0.130 2.273
292 HD13 LEU 37 HD13 LEU 37 -2.452 1.217 1.759
293 HD21 LEU 37 HD21 LEU 37 -2.206 -0.367 -0.243
294 HD22 LEU 37 HD22 LEU 37 -3.437 -1.426 0.444
295 HD23 LEU 37 HD23 LEU 37 -1.827 -2.057 0.087
296 H ARG 38 H ARG 38 2.486 -0.011 1.191
297 HA ARG 38 HA ARG 38 3.292 1.850 3.072
298 HB2 ARG 38 HB2 ARG 38 4.508 -0.200 2.343
299 HB3 ARG 38 HB1 ARG 38 4.954 0.636 0.870
300 HG2 ARG 38 HG2 ARG 38 6.217 2.261 2.167
301 HG3 ARG 38 HG1 ARG 38 5.747 1.439 3.659
302 HD2 ARG 38 HD2 ARG 38 6.803 -0.619 2.811
303 HD3 ARG 38 HD1 ARG 38 7.354 0.268 1.395
304 HE ARG 38 HE ARG 38 8.157 1.505 3.820
305 HH11 ARG 38 HH11 ARG 38 8.982 -1.053 1.517
306 HH12 ARG 38 HH12 ARG 38 10.600 -1.198 2.022
307 HH21 ARG 38 HH21 ARG 38 10.441 1.299 4.530
308 HH22 ARG 38 HH22 ARG 38 11.442 0.190 3.708
309 H GLU 39 H GLU 39 3.255 2.058 -0.434
310 HA GLU 39 HA GLU 39 4.508 4.529 -0.797
311 HB2 GLU 39 HB2 GLU 39 2.220 3.346 -2.360
312 HB3 GLU 39 HB1 GLU 39 3.246 4.659 -2.908
313 HG2 GLU 39 HG2 GLU 39 5.158 3.166 -2.958
314 HG3 GLU 39 HG1 GLU 39 4.167 1.854 -2.323
315 H ARG 40 H ARG 40 1.251 3.729 0.183
316 HA ARG 40 HA ARG 40 0.269 6.431 -0.214
317 HB2 ARG 40 HB2 ARG 40 -1.138 4.082 1.073
318 HB3 ARG 40 HB1 ARG 40 -1.870 5.580 0.533
319 HG2 ARG 40 HG2 ARG 40 -0.635 3.471 -1.228
320 HG3 ARG 40 HG1 ARG 40 -2.355 3.762 -0.998
321 HD2 ARG 40 HD2 ARG 40 -0.379 5.704 -2.197
322 HD3 ARG 40 HD1 ARG 40 -1.515 4.709 -3.100
323 HE ARG 40 HE ARG 40 -2.990 6.214 -1.283
324 HH11 ARG 40 HH11 ARG 40 -0.965 6.790 -4.171
325 HH12 ARG 40 HH12 ARG 40 -1.791 8.208 -4.599
326 HH21 ARG 40 HH21 ARG 40 -4.100 8.177 -1.943
327 HH22 ARG 40 HH22 ARG 40 -3.585 8.991 -3.345
328 H GLU 41 H GLU 41 0.906 4.231 2.491
329 HA GLU 41 HA GLU 41 0.019 6.136 4.441
330 HB2 GLU 41 HB2 GLU 41 1.532 3.569 4.856
331 HB3 GLU 41 HB1 GLU 41 0.697 4.494 6.091
332 HG2 GLU 41 HG2 GLU 41 -1.440 4.042 4.971
333 HG3 GLU 41 HG1 GLU 41 -0.586 3.098 3.749
334 H GLN 42 H GLN 42 3.212 4.904 3.459
335 HA GLN 42 HA GLN 42 4.484 6.582 5.455
336 HB2 GLN 42 HB2 GLN 42 5.308 4.284 5.160
337 HB3 GLN 42 HB1 GLN 42 5.671 4.618 3.475
338 HG2 GLN 42 HG2 GLN 42 7.338 6.229 4.122
339 HG3 GLN 42 HG1 GLN 42 6.967 5.990 5.823
340 HE21 GLN 42 1HE2 GLN 42 9.010 5.392 6.281
341 HE22 GLN 42 2HE2 GLN 42 9.698 3.875 5.814
342 H GLY 43 H GLY 43 3.718 6.666 2.137
343 HA2 GLY 43 HA2 GLY 43 5.440 9.021 1.867
344 HA3 GLY 43 HA1 GLY 43 5.128 7.919 0.526
345 H ARG 44 H ARG 44 4.339 9.727 -0.656
346 HA ARG 44 HA ARG 44 1.596 10.518 0.132
347 HB2 ARG 44 HB2 ARG 44 3.487 11.984 -1.743
348 HB3 ARG 44 HB1 ARG 44 1.935 12.561 -1.159
349 HG2 ARG 44 HG2 ARG 44 4.437 12.162 0.469
350 HG3 ARG 44 HG1 ARG 44 3.714 13.700 -0.006
351 HD2 ARG 44 HD2 ARG 44 1.807 13.305 1.376
352 HD3 ARG 44 HD1 ARG 44 2.313 11.646 1.695
353 HE ARG 44 HE ARG 44 4.046 13.830 2.498
354 HH11 ARG 44 HH11 ARG 44 1.714 11.337 3.504
355 HH12 ARG 44 HH12 ARG 44 2.297 11.252 5.095
356 HH21 ARG 44 HH21 ARG 44 4.828 13.687 4.691
357 HH22 ARG 44 HH22 ARG 44 4.098 12.615 5.787
358 H GLY 45 H GLY 45 2.650 8.151 -1.170
359 HA2 GLY 45 HA2 GLY 45 1.832 6.811 -2.870
360 HA3 GLY 45 HA1 GLY 45 1.200 8.251 -3.689
361 H GLU 46 H GLU 46 2.786 9.807 -4.354
362 HA GLU 46 HA GLU 46 5.481 9.144 -4.709
363 HB2 GLU 46 HB2 GLU 46 4.540 7.771 -6.553
364 HB3 GLU 46 HB1 GLU 46 3.675 9.177 -7.154
365 HG2 GLU 46 HG2 GLU 46 5.694 8.682 -8.459
366 HG3 GLU 46 HG1 GLU 46 5.755 10.273 -7.705
367 H ASP 47 H ASP 47 6.537 11.024 -5.426
368 HA ASP 47 HA ASP 47 4.995 13.392 -4.919
369 HB2 ASP 47 HB2 ASP 47 7.936 12.919 -5.363
370 HB3 ASP 47 HB1 ASP 47 7.270 14.546 -5.336
371 H VAL 48 H VAL 48 3.677 13.707 -6.500
372 HA VAL 48 HA VAL 48 4.632 14.715 -8.965
373 HB VAL 48 HB VAL 48 4.734 12.272 -9.439
374 HG11 VAL 48 HG11 VAL 48 2.710 10.913 -9.596
375 HG12 VAL 48 HG12 VAL 48 1.790 12.237 -8.880
376 HG13 VAL 48 3HG1 VAL 48 3.056 11.440 -7.947
377 HG21 VAL 48 HG21 VAL 48 3.382 12.238 -11.497
378 HG22 VAL 48 HG22 VAL 48 4.271 13.746 -11.302
379 HG23 VAL 48 HG23 VAL 48 2.543 13.691 -10.950
380 H ASP 49 H ASP 49 3.054 15.981 -9.910
381 HA ASP 49 HA ASP 49 0.630 16.305 -8.313
382 HB2 ASP 49 HB2 ASP 49 2.055 18.271 -8.322
383 HB3 ASP 49 HB1 ASP 49 2.099 18.263 -10.082
Start of MODEL 20
1 H PCA 1 H PGL 1 -13.233 7.327 8.799
2 HA PCA 1 HA PGL 1 -14.434 8.234 6.790
3 HB2 PCA 1 HB1 PGL 1 -13.196 9.868 5.792
4 HB3 PCA 1 HB2 PGL 1 -12.205 8.568 5.073
5 HG2 PCA 1 HG1 PGL 1 -11.426 10.427 7.135
6 HG3 PCA 1 HG2 PGL 1 -10.486 9.045 6.481
7 H ARG 2 H ARG 2 -14.330 7.286 4.504
8 HA ARG 2 HA ARG 2 -13.227 4.571 4.679
9 HB2 ARG 2 HB2 ARG 2 -15.677 5.493 3.178
10 HB3 ARG 2 HB1 ARG 2 -15.030 3.861 3.140
11 HG2 ARG 2 HG2 ARG 2 -16.224 5.295 5.498
12 HG3 ARG 2 HG1 ARG 2 -16.924 3.935 4.619
13 HD2 ARG 2 HD2 ARG 2 -14.407 3.903 6.296
14 HD3 ARG 2 HD1 ARG 2 -15.954 3.191 6.723
15 HE ARG 2 HE ARG 2 -15.065 2.144 4.272
16 HH11 ARG 2 HH11 ARG 2 -14.355 1.923 7.744
17 HH12 ARG 2 HH12 ARG 2 -13.758 0.337 7.640
18 HH21 ARG 2 HH21 ARG 2 -14.207 0.000 4.164
19 HH22 ARG 2 HH22 ARG 2 -13.641 -0.748 5.587
20 H GLY 3 H GLY 3 -13.096 3.621 2.290
21 HA2 GLY 3 HA2 GLY 3 -12.084 3.824 0.212
22 HA3 GLY 3 HA1 GLY 3 -12.007 5.576 0.444
23 H SER 4 H SER 4 -11.024 3.206 2.729
24 HA SER 4 HA SER 4 -8.470 4.497 3.013
25 HB2 SER 4 HB2 SER 4 -9.704 2.285 4.639
26 HB3 SER 4 HB1 SER 4 -8.454 3.429 5.130
27 HG SER 4 HG SER 4 -10.174 5.057 4.596
28 HA PRO 5 HA PRO 5 -6.637 1.186 0.513
29 HB2 PRO 5 HB2 PRO 5 -4.030 1.713 1.265
30 HB3 PRO 5 HB1 PRO 5 -4.882 2.529 -0.046
31 HG2 PRO 5 HG2 PRO 5 -4.446 3.421 2.766
32 HG3 PRO 5 HG1 PRO 5 -4.373 4.355 1.261
33 HD2 PRO 5 HD2 PRO 5 -6.492 4.512 2.862
34 HD3 PRO 5 HD1 PRO 5 -6.676 4.524 1.102
35 H ARG 6 H ARG 6 -6.193 1.638 3.943
36 HA ARG 6 HA ARG 6 -4.789 -0.734 4.565
37 HB2 ARG 6 HB2 ARG 6 -5.629 -0.476 6.843
38 HB3 ARG 6 HB1 ARG 6 -5.121 1.081 6.215
39 HG2 ARG 6 HG2 ARG 6 -7.481 1.671 5.810
40 HG3 ARG 6 HG1 ARG 6 -7.959 0.091 6.406
41 HD2 ARG 6 HD2 ARG 6 -6.485 2.165 8.016
42 HD3 ARG 6 HD1 ARG 6 -8.217 1.844 8.103
43 HE ARG 6 HE ARG 6 -7.031 -0.563 8.513
44 HH11 ARG 6 HH11 ARG 6 -6.909 2.579 10.130
45 HH12 ARG 6 HH12 ARG 6 -6.516 1.960 11.663
46 HH21 ARG 6 HH21 ARG 6 -6.576 -1.442 10.621
47 HH22 ARG 6 HH22 ARG 6 -6.346 -0.413 11.958
48 H ALA 7 H ALA 7 -8.199 -0.109 4.029
49 HA ALA 7 HA ALA 7 -9.051 -2.707 4.846
50 HB1 ALA 7 HB1 ALA 7 -11.212 -2.035 3.872
51 HB2 ALA 7 HB2 ALA 7 -10.449 -0.594 3.196
52 HB3 ALA 7 HB3 ALA 7 -10.573 -0.787 4.943
53 H GLU 8 H GLU 8 -8.359 -1.026 1.865
54 HA GLU 8 HA GLU 8 -8.977 -3.018 0.014
55 HB2 GLU 8 HB2 GLU 8 -6.771 -0.975 -0.135
56 HB3 GLU 8 HB1 GLU 8 -7.408 -1.884 -1.491
57 HG2 GLU 8 HG2 GLU 8 -9.618 -0.840 -1.057
58 HG3 GLU 8 HG1 GLU 8 -8.833 0.181 0.152
59 H TYR 9 H TYR 9 -6.064 -2.433 1.856
60 HA TYR 9 HA TYR 9 -4.399 -4.391 0.773
61 HB2 TYR 9 HB2 TYR 9 -3.532 -2.692 2.249
62 HB3 TYR 9 HB1 TYR 9 -4.564 -3.235 3.558
63 HD1 TYR 9 HD1 TYR 9 -1.660 -4.247 1.465
64 HD2 TYR 9 HD2 TYR 9 -3.865 -4.863 5.031
65 HE1 TYR 9 HE1 TYR 9 0.107 -5.750 2.289
66 HE2 TYR 9 HE2 TYR 9 -2.140 -6.358 5.863
67 HH TYR 9 HH TYR 9 0.935 -6.637 4.424
68 H GLU 10 H GLU 10 -6.634 -4.561 3.491
69 HA GLU 10 HA GLU 10 -6.173 -7.282 4.069
70 HB2 GLU 10 HB2 GLU 10 -8.445 -5.428 4.759
71 HB3 GLU 10 HB1 GLU 10 -8.309 -7.072 5.377
72 HG2 GLU 10 HG2 GLU 10 -6.200 -4.968 5.776
73 HG3 GLU 10 HG1 GLU 10 -7.503 -5.277 6.921
74 H VAL 11 H VAL 11 -8.427 -5.649 1.942
75 HA VAL 11 HA VAL 11 -9.911 -7.972 1.209
76 HB VAL 11 HB VAL 11 -9.535 -5.366 -0.323
77 HG11 VAL 11 HG11 VAL 11 -11.609 -7.532 -0.712
78 HG12 VAL 11 HG12 VAL 11 -10.287 -7.158 -1.816
79 HG13 VAL 11 3HG1 VAL 11 -11.573 -5.981 -1.550
80 HG21 VAL 11 HG21 VAL 11 -11.716 -4.755 0.585
81 HG22 VAL 11 HG22 VAL 11 -10.555 -5.065 1.876
82 HG23 VAL 11 HG23 VAL 11 -11.776 -6.274 1.478
83 H CYS 12 H CYS 12 -7.092 -6.354 -0.116
84 HA CYS 12 HA CYS 12 -6.613 -7.868 -2.402
85 HB2 CYS 12 HB2 CYS 12 -5.387 -5.783 -1.676
86 HB3 CYS 12 HB1 CYS 12 -4.560 -6.747 -0.472
87 H ARG 13 H ARG 13 -5.702 -8.384 0.949
88 HA ARG 13 HA ARG 13 -4.357 -10.841 0.606
89 HB2 ARG 13 HB2 ARG 13 -5.752 -9.621 2.964
90 HB3 ARG 13 HB1 ARG 13 -4.825 -11.105 3.062
91 HG2 ARG 13 HG2 ARG 13 -2.817 -9.869 2.389
92 HG3 ARG 13 HG1 ARG 13 -3.775 -8.385 2.310
93 HD2 ARG 13 HD2 ARG 13 -2.569 -8.579 4.437
94 HD3 ARG 13 HD1 ARG 13 -4.319 -8.582 4.664
95 HE ARG 13 HE ARG 13 -3.016 -11.153 4.447
96 HH11 ARG 13 HH11 ARG 13 -4.498 -8.718 6.592
97 HH12 ARG 13 HH12 ARG 13 -4.600 -9.759 7.922
98 HH21 ARG 13 HH21 ARG 13 -3.150 -12.575 6.291
99 HH22 ARG 13 HH22 ARG 13 -3.834 -12.037 7.747
100 H LEU 14 H LEU 14 -7.712 -9.994 1.341
101 HA LEU 14 HA LEU 14 -8.745 -12.524 1.915
102 HB2 LEU 14 HB2 LEU 14 -9.934 -10.413 2.310
103 HB3 LEU 14 HB1 LEU 14 -10.108 -10.186 0.589
104 HG LEU 14 HG LEU 14 -11.556 -12.177 0.471
105 HD11 LEU 14 HD11 LEU 14 -11.278 -12.201 3.469
106 HD12 LEU 14 HD12 LEU 14 -10.696 -13.436 2.349
107 HD13 LEU 14 HD13 LEU 14 -12.426 -13.160 2.538
108 HD21 LEU 14 HD21 LEU 14 -12.421 -10.102 2.481
109 HD22 LEU 14 HD22 LEU 14 -13.495 -11.181 1.591
110 HD23 LEU 14 HD23 LEU 14 -12.549 -9.970 0.727
111 H ARG 15 H ARG 15 -8.264 -10.910 -1.124
112 HA ARG 15 HA ARG 15 -9.487 -12.746 -2.864
113 HB2 ARG 15 HB2 ARG 15 -7.031 -11.026 -3.330
114 HB3 ARG 15 HB1 ARG 15 -7.912 -11.865 -4.599
115 HG2 ARG 15 HG2 ARG 15 -9.910 -10.553 -4.081
116 HG3 ARG 15 HG1 ARG 15 -9.029 -9.719 -2.810
117 HD2 ARG 15 HD2 ARG 15 -7.531 -8.735 -4.433
118 HD3 ARG 15 HD1 ARG 15 -8.274 -9.663 -5.737
119 HE ARG 15 HE ARG 15 -10.336 -8.314 -4.604
120 HH11 ARG 15 HH11 ARG 15 -7.314 -7.235 -6.124
121 HH12 ARG 15 HH12 ARG 15 -7.964 -5.733 -6.612
122 HH21 ARG 15 HH21 ARG 15 -11.191 -6.290 -5.310
123 HH22 ARG 15 HH22 ARG 15 -10.203 -5.189 -6.151
124 H CYS 16 H CYS 16 -6.224 -12.673 -1.547
125 HA CYS 16 HA CYS 16 -5.404 -15.071 -2.832
126 HB2 CYS 16 HB2 CYS 16 -4.231 -13.557 -0.513
127 HB3 CYS 16 HB1 CYS 16 -3.454 -14.910 -1.327
128 H GLN 17 H GLN 17 -6.920 -14.312 0.226
129 HA GLN 17 HA GLN 17 -6.341 -16.665 1.611
130 HB2 GLN 17 HB2 GLN 17 -8.848 -14.991 1.823
131 HB3 GLN 17 HB1 GLN 17 -8.370 -16.237 2.962
132 HG2 GLN 17 HG2 GLN 17 -6.964 -13.638 2.411
133 HG3 GLN 17 HG1 GLN 17 -7.833 -14.096 3.875
134 HE21 GLN 17 1HE2 GLN 17 -6.874 -15.627 5.266
135 HE22 GLN 17 2HE2 GLN 17 -5.181 -15.945 5.188
136 H VAL 18 H VAL 18 -8.890 -15.999 -0.682
137 HA VAL 18 HA VAL 18 -9.938 -18.667 -0.320
138 HB VAL 18 HB VAL 18 -11.512 -16.801 -0.646
139 HG11 VAL 18 HG11 VAL 18 -10.348 -16.648 -3.383
140 HG12 VAL 18 HG12 VAL 18 -10.233 -15.436 -2.105
141 HG13 VAL 18 3HG1 VAL 18 -11.802 -15.787 -2.857
142 HG21 VAL 18 HG21 VAL 18 -11.621 -18.850 -2.861
143 HG22 VAL 18 HG22 VAL 18 -12.975 -17.857 -2.324
144 HG23 VAL 18 HG23 VAL 18 -12.262 -19.042 -1.230
145 H ALA 19 H ALA 19 -7.866 -16.988 -2.559
146 HA ALA 19 HA ALA 19 -8.117 -19.029 -4.566
147 HB1 ALA 19 HB1 ALA 19 -6.568 -17.721 -5.860
148 HB2 ALA 19 HB2 ALA 19 -6.189 -16.728 -4.453
149 HB3 ALA 19 HB3 ALA 19 -7.801 -16.670 -5.164
150 H GLU 20 H GLU 20 -5.518 -18.008 -2.339
151 HA GLU 20 HA GLU 20 -3.854 -20.220 -3.249
152 HB2 GLU 20 HB2 GLU 20 -3.280 -17.881 -1.431
153 HB3 GLU 20 HB1 GLU 20 -2.097 -19.088 -1.886
154 HG2 GLU 20 HG2 GLU 20 -3.467 -17.108 -3.691
155 HG3 GLU 20 HG1 GLU 20 -1.774 -17.110 -3.200
156 H ARG 21 H ARG 21 -3.026 -21.744 -1.800
157 HA ARG 21 HA ARG 21 -4.463 -21.911 0.759
158 HB2 ARG 21 HB2 ARG 21 -3.297 -24.136 -0.897
159 HB3 ARG 21 HB1 ARG 21 -3.967 -24.355 0.705
160 HG2 ARG 21 HG2 ARG 21 -6.162 -23.659 -0.111
161 HG3 ARG 21 HG1 ARG 21 -5.477 -23.418 -1.720
162 HD2 ARG 21 HD2 ARG 21 -6.616 -25.597 -1.501
163 HD3 ARG 21 HD1 ARG 21 -4.902 -25.757 -1.881
164 HE ARG 21 HE ARG 21 -5.827 -25.941 0.890
165 HH11 ARG 21 HH11 ARG 21 -4.330 -27.509 -1.925
166 HH12 ARG 21 HH12 ARG 21 -3.765 -28.862 -1.064
167 HH21 ARG 21 HH21 ARG 21 -5.009 -27.830 2.089
168 HH22 ARG 21 HH22 ARG 21 -4.151 -29.047 1.269
169 H GLY 22 H GLY 22 -1.605 -21.355 -0.562
170 HA2 GLY 22 HA2 GLY 22 0.007 -22.641 1.514
171 HA3 GLY 22 HA1 GLY 22 0.615 -21.793 0.095
172 H VAL 23 H VAL 23 1.059 -21.642 3.093
173 HA VAL 23 HA VAL 23 0.111 -19.106 3.965
174 HB VAL 23 HB VAL 23 2.436 -20.750 5.033
175 HG11 VAL 23 HG11 VAL 23 2.132 -19.495 7.113
176 HG12 VAL 23 HG12 VAL 23 0.886 -18.517 6.339
177 HG13 VAL 23 3HG1 VAL 23 2.553 -18.430 5.771
178 HG21 VAL 23 HG21 VAL 23 -0.447 -20.663 5.923
179 HG22 VAL 23 HG22 VAL 23 0.848 -21.557 6.720
180 HG23 VAL 23 HG23 VAL 23 0.345 -21.999 5.089
181 H GLU 24 H GLU 24 3.103 -20.297 2.557
182 HA GLU 24 HA GLU 24 4.515 -17.857 2.698
183 HB2 GLU 24 HB2 GLU 24 4.837 -20.207 0.850
184 HB3 GLU 24 HB1 GLU 24 5.924 -18.831 0.870
185 HG2 GLU 24 HG2 GLU 24 6.492 -19.296 3.186
186 HG3 GLU 24 HG1 GLU 24 5.380 -20.667 3.184
187 H GLN 25 H GLN 25 2.250 -19.141 0.411
188 HA GLN 25 HA GLN 25 2.649 -17.156 -1.566
189 HB2 GLN 25 HB2 GLN 25 0.384 -19.040 -1.016
190 HB3 GLN 25 HB1 GLN 25 0.341 -17.887 -2.340
191 HG2 GLN 25 HG2 GLN 25 2.409 -20.035 -1.953
192 HG3 GLN 25 HG1 GLN 25 1.050 -20.096 -3.078
193 HE21 GLN 25 1HE2 GLN 25 4.170 -18.716 -2.438
194 HE22 GLN 25 2HE2 GLN 25 4.385 -18.034 -4.001
195 H GLN 26 H GLN 26 0.598 -17.379 1.256
196 HA GLN 26 HA GLN 26 -0.882 -15.007 0.683
197 HB2 GLN 26 HB2 GLN 26 -0.371 -16.190 3.430
198 HB3 GLN 26 HB1 GLN 26 -1.675 -15.114 2.957
199 HG2 GLN 26 HG2 GLN 26 -1.317 -17.968 2.086
200 HG3 GLN 26 HG1 GLN 26 -2.484 -17.365 3.251
201 HE21 GLN 26 1HE2 GLN 26 -4.182 -18.171 2.082
202 HE22 GLN 26 2HE2 GLN 26 -4.692 -17.457 0.581
203 H ARG 27 H ARG 27 2.026 -15.726 2.474
204 HA ARG 27 HA ARG 27 2.563 -13.145 3.444
205 HB2 ARG 27 HB2 ARG 27 4.516 -15.314 2.631
206 HB3 ARG 27 HB1 ARG 27 4.963 -13.867 3.521
207 HG2 ARG 27 HG2 ARG 27 3.543 -14.553 5.381
208 HG3 ARG 27 HG1 ARG 27 3.033 -15.976 4.475
209 HD2 ARG 27 HD2 ARG 27 5.351 -16.786 4.453
210 HD3 ARG 27 HD1 ARG 27 5.850 -15.355 5.352
211 HE ARG 27 HE ARG 27 3.943 -16.392 6.914
212 HH11 ARG 27 HH11 ARG 27 6.909 -17.763 5.530
213 HH12 ARG 27 HH12 ARG 27 7.119 -18.927 6.739
214 HH21 ARG 27 HH21 ARG 27 4.242 -17.989 8.634
215 HH22 ARG 27 HH22 ARG 27 5.572 -19.044 8.575
216 H LYS 28 H LYS 28 3.357 -14.680 0.357
217 HA LYS 28 HA LYS 28 4.749 -12.536 -0.818
218 HB2 LYS 28 HB2 LYS 28 3.047 -14.700 -2.056
219 HB3 LYS 28 HB1 LYS 28 3.878 -13.494 -3.021
220 HG2 LYS 28 HG2 LYS 28 5.210 -15.430 -1.143
221 HG3 LYS 28 HG1 LYS 28 5.084 -15.628 -2.892
222 HD2 LYS 28 HD2 LYS 28 6.309 -13.491 -3.185
223 HD3 LYS 28 HD1 LYS 28 6.508 -13.391 -1.440
224 HE2 LYS 28 HE2 LYS 28 8.515 -14.277 -2.499
225 HE3 LYS 28 HE1 LYS 28 7.773 -15.485 -1.458
226 HZ1 LYS 28 HZ1 LYS 28 8.497 -16.379 -3.595
227 HZ2 LYS 28 HZ2 LYS 28 7.395 -15.374 -4.406
228 HZ3 LYS 28 HZ3 LYS 28 6.849 -16.570 -3.361
229 H CYS 29 H CYS 29 1.307 -13.356 -0.883
230 HA CYS 29 HA CYS 29 0.417 -11.187 -2.335
231 HB2 CYS 29 HB2 CYS 29 -0.857 -12.863 -0.218
232 HB3 CYS 29 HB1 CYS 29 -1.745 -11.533 -0.937
233 H GLU 30 H GLU 30 0.795 -11.442 1.184
234 HA GLU 30 HA GLU 30 -0.090 -8.909 1.859
235 HB2 GLU 30 HB2 GLU 30 2.079 -10.560 3.160
236 HB3 GLU 30 HB1 GLU 30 1.355 -9.127 3.877
237 HG2 GLU 30 HG2 GLU 30 -0.822 -10.223 3.897
238 HG3 GLU 30 HG1 GLU 30 -0.109 -11.655 3.156
239 H GLN 31 H GLN 31 3.159 -9.924 0.931
240 HA GLN 31 HA GLN 31 4.364 -7.377 1.212
241 HB2 GLN 31 HB2 GLN 31 5.196 -9.756 -0.446
242 HB3 GLN 31 HB1 GLN 31 6.198 -8.336 -0.178
243 HG2 GLN 31 HG2 GLN 31 5.153 -10.126 2.001
244 HG3 GLN 31 HG1 GLN 31 6.757 -10.246 1.284
245 HE21 GLN 31 1HE2 GLN 31 4.667 -8.321 3.298
246 HE22 GLN 31 2HE2 GLN 31 5.905 -7.354 3.991
247 H VAL 32 H VAL 32 3.042 -9.038 -1.639
248 HA VAL 32 HA VAL 32 3.672 -6.976 -3.459
249 HB VAL 32 HB VAL 32 1.543 -9.136 -3.653
250 HG11 VAL 32 HG11 VAL 32 2.609 -7.322 -5.828
251 HG12 VAL 32 HG12 VAL 32 0.973 -7.304 -5.169
252 HG13 VAL 32 3HG1 VAL 32 1.543 -8.705 -6.075
253 HG21 VAL 32 HG21 VAL 32 3.167 -10.228 -5.141
254 HG22 VAL 32 HG22 VAL 32 3.800 -10.007 -3.510
255 HG23 VAL 32 HG23 VAL 32 4.321 -8.937 -4.811
256 H CYS 33 H CYS 33 0.782 -7.547 -1.512
257 HA CYS 33 HA CYS 33 -0.656 -5.348 -2.583
258 HB2 CYS 33 HB2 CYS 33 -0.973 -6.634 0.152
259 HB3 CYS 33 HB1 CYS 33 -2.153 -5.606 -0.644
260 H GLU 34 H GLU 34 1.673 -5.754 0.016
261 HA GLU 34 HA GLU 34 1.300 -3.278 1.270
262 HB2 GLU 34 HB2 GLU 34 2.397 -5.273 2.282
263 HB3 GLU 34 HB1 GLU 34 3.779 -4.994 1.239
264 HG2 GLU 34 HG2 GLU 34 4.210 -2.885 2.314
265 HG3 GLU 34 HG1 GLU 34 2.755 -3.066 3.294
266 H GLU 35 H GLU 35 3.177 -4.293 -1.475
267 HA GLU 35 HA GLU 35 4.891 -2.150 -1.851
268 HB2 GLU 35 HB2 GLU 35 3.376 -3.798 -3.866
269 HB3 GLU 35 HB1 GLU 35 4.559 -2.604 -4.347
270 HG2 GLU 35 HG2 GLU 35 5.089 -5.044 -2.652
271 HG3 GLU 35 HG1 GLU 35 5.481 -4.865 -4.359
272 H ARG 36 H ARG 36 1.467 -2.390 -2.728
273 HA ARG 36 HA ARG 36 1.317 0.245 -3.863
274 HB2 ARG 36 HB2 ARG 36 -0.319 -1.418 -4.569
275 HB3 ARG 36 HB1 ARG 36 -0.858 -1.642 -2.910
276 HG2 ARG 36 HG2 ARG 36 -1.726 0.629 -2.857
277 HG3 ARG 36 HG1 ARG 36 -1.129 0.905 -4.489
278 HD2 ARG 36 HD2 ARG 36 -3.516 0.466 -4.495
279 HD3 ARG 36 HD1 ARG 36 -2.638 -0.797 -5.339
280 HE ARG 36 HE ARG 36 -2.893 -2.076 -3.145
281 HH11 ARG 36 HH11 ARG 36 -5.242 0.428 -3.936
282 HH12 ARG 36 HH12 ARG 36 -6.621 -0.460 -3.529
283 HH21 ARG 36 HH21 ARG 36 -4.765 -3.379 -2.614
284 HH22 ARG 36 HH22 ARG 36 -6.343 -2.743 -2.776
285 H LEU 37 H LEU 37 0.668 -1.200 -0.786
286 HA LEU 37 HA LEU 37 -0.625 0.998 0.384
287 HB2 LEU 37 HB2 LEU 37 0.457 -1.565 1.316
288 HB3 LEU 37 HB1 LEU 37 0.247 -0.334 2.541
289 HG LEU 37 HG LEU 37 -1.652 -1.955 2.288
290 HD11 LEU 37 HD11 LEU 37 -3.380 -0.198 2.451
291 HD12 LEU 37 HD12 LEU 37 -2.200 0.977 1.854
292 HD13 LEU 37 HD13 LEU 37 -1.940 0.171 3.398
293 HD21 LEU 37 HD21 LEU 37 -1.706 -2.153 -0.148
294 HD22 LEU 37 HD22 LEU 37 -2.129 -0.449 -0.293
295 HD23 LEU 37 HD23 LEU 37 -3.261 -1.572 0.453
296 H ARG 38 H ARG 38 2.749 0.099 0.250
297 HA ARG 38 HA ARG 38 3.776 1.945 2.073
298 HB2 ARG 38 HB2 ARG 38 4.967 0.087 0.906
299 HB3 ARG 38 HB1 ARG 38 4.972 1.079 -0.540
300 HG2 ARG 38 HG2 ARG 38 6.273 2.782 0.680
301 HG3 ARG 38 HG1 ARG 38 6.336 1.687 2.067
302 HD2 ARG 38 HD2 ARG 38 7.320 1.143 -0.688
303 HD3 ARG 38 HD1 ARG 38 8.351 1.481 0.717
304 HE ARG 38 HE ARG 38 7.424 -0.632 1.656
305 HH11 ARG 38 HH11 ARG 38 7.480 -0.160 -1.861
306 HH12 ARG 38 HH12 ARG 38 7.426 -1.819 -2.208
307 HH21 ARG 38 HH21 ARG 38 7.343 -2.929 1.132
308 HH22 ARG 38 HH22 ARG 38 7.347 -3.387 -0.514
309 H GLU 39 H GLU 39 2.908 2.222 -1.330
310 HA GLU 39 HA GLU 39 3.810 4.884 -1.666
311 HB2 GLU 39 HB2 GLU 39 1.733 3.344 -3.226
312 HB3 GLU 39 HB1 GLU 39 2.458 4.863 -3.726
313 HG2 GLU 39 HG2 GLU 39 3.862 2.231 -3.371
314 HG3 GLU 39 HG1 GLU 39 3.471 3.012 -4.898
315 H ARG 40 H ARG 40 0.767 3.413 -0.728
316 HA ARG 40 HA ARG 40 -0.556 5.937 -0.661
317 HB2 ARG 40 HB2 ARG 40 -1.448 3.228 0.239
318 HB3 ARG 40 HB1 ARG 40 -2.390 4.669 0.580
319 HG2 ARG 40 HG2 ARG 40 -1.688 3.543 -2.129
320 HG3 ARG 40 HG1 ARG 40 -3.281 3.625 -1.375
321 HD2 ARG 40 HD2 ARG 40 -1.616 5.883 -2.494
322 HD3 ARG 40 HD1 ARG 40 -3.243 5.394 -2.944
323 HE ARG 40 HE ARG 40 -2.954 6.316 -0.212
324 HH11 ARG 40 HH11 ARG 40 -3.984 7.217 -3.490
325 HH12 ARG 40 HH12 ARG 40 -4.629 8.721 -2.977
326 HH21 ARG 40 HH21 ARG 40 -3.735 8.387 0.400
327 HH22 ARG 40 HH22 ARG 40 -4.502 9.391 -0.738
328 H GLU 41 H GLU 41 1.317 4.241 1.701
329 HA GLU 41 HA GLU 41 0.329 5.923 3.827
330 HB2 GLU 41 HB2 GLU 41 2.816 4.208 3.709
331 HB3 GLU 41 HB1 GLU 41 2.252 5.047 5.148
332 HG2 GLU 41 HG2 GLU 41 0.164 3.722 5.024
333 HG3 GLU 41 HG1 GLU 41 0.867 2.824 3.679
334 H GLN 42 H GLN 42 2.601 6.119 1.357
335 HA GLN 42 HA GLN 42 3.933 8.467 2.414
336 HB2 GLN 42 HB2 GLN 42 5.065 6.763 0.949
337 HB3 GLN 42 HB1 GLN 42 3.974 7.218 -0.344
338 HG2 GLN 42 HG2 GLN 42 4.929 9.450 -0.386
339 HG3 GLN 42 HG1 GLN 42 5.992 9.030 0.956
340 HE21 GLN 42 1HE2 GLN 42 5.217 6.825 -1.648
341 HE22 GLN 42 2HE2 GLN 42 6.782 6.805 -2.349
342 H GLY 43 H GLY 43 1.228 7.521 0.620
343 HA2 GLY 43 HA2 GLY 43 0.657 10.058 -0.606
344 HA3 GLY 43 HA1 GLY 43 -0.330 8.599 -0.671
345 H ARG 44 H ARG 44 0.824 10.991 1.565
346 HA ARG 44 HA ARG 44 -1.557 10.801 3.201
347 HB2 ARG 44 HB2 ARG 44 0.967 12.431 3.377
348 HB3 ARG 44 HB1 ARG 44 -0.348 12.556 4.542
349 HG2 ARG 44 HG2 ARG 44 0.021 10.454 5.401
350 HG3 ARG 44 HG1 ARG 44 0.813 9.884 3.932
351 HD2 ARG 44 HD2 ARG 44 1.961 11.913 5.831
352 HD3 ARG 44 HD1 ARG 44 2.356 10.188 5.826
353 HE ARG 44 HE ARG 44 2.820 11.931 3.498
354 HH11 ARG 44 HH11 ARG 44 4.021 9.530 5.810
355 HH12 ARG 44 HH12 ARG 44 5.452 9.219 4.954
356 HH21 ARG 44 HH21 ARG 44 4.798 11.505 2.323
357 HH22 ARG 44 HH22 ARG 44 5.940 10.421 2.956
358 H GLY 45 H GLY 45 -0.708 12.161 0.445
359 HA2 GLY 45 HA2 GLY 45 -2.868 14.098 0.559
360 HA3 GLY 45 HA1 GLY 45 -1.328 14.504 -0.222
361 H GLU 46 H GLU 46 -3.601 14.433 -1.804
362 HA GLU 46 HA GLU 46 -3.635 11.760 -2.921
363 HB2 GLU 46 HB2 GLU 46 -5.431 14.115 -3.407
364 HB3 GLU 46 HB1 GLU 46 -5.551 12.590 -4.275
365 HG2 GLU 46 HG2 GLU 46 -5.893 13.022 -1.328
366 HG3 GLU 46 HG1 GLU 46 -7.147 12.605 -2.500
367 H ASP 47 H ASP 47 -1.535 13.972 -3.362
368 HA ASP 47 HA ASP 47 -1.775 14.308 -6.236
369 HB2 ASP 47 HB2 ASP 47 0.305 15.365 -4.313
370 HB3 ASP 47 HB1 ASP 47 0.350 15.614 -6.052
371 H VAL 48 H VAL 48 -1.030 11.810 -4.603
372 HA VAL 48 HA VAL 48 1.393 10.957 -5.895
373 HB VAL 48 HB VAL 48 0.862 8.699 -4.970
374 HG11 VAL 48 HG11 VAL 48 1.107 9.290 -2.620
375 HG12 VAL 48 HG12 VAL 48 0.606 10.942 -2.980
376 HG13 VAL 48 3HG1 VAL 48 2.114 10.313 -3.647
377 HG21 VAL 48 HG21 VAL 48 -1.584 8.804 -5.088
378 HG22 VAL 48 HG22 VAL 48 -1.597 10.055 -3.844
379 HG23 VAL 48 HG23 VAL 48 -1.050 8.426 -3.450
380 H ASP 49 H ASP 49 -1.740 11.353 -6.835
381 HA ASP 49 HA ASP 49 -1.599 9.329 -8.932
382 HB2 ASP 49 HB2 ASP 49 -3.661 9.267 -7.636
383 HB3 ASP 49 HB1 ASP 49 -3.923 10.985 -7.915